Welcome to LookChem.com Sign In|Join Free
  • or
Home > Pharmaceutical > 2530 > 

2530-99-6

Products Categories

Basic Information
CAS No.: 2530-99-6
Name: 1-Allyl-3,7-dimethylxanthine
Article Data: 10
Molecular Structure:
Molecular Structure of 2530-99-6 (1-Allyl-3,7-dimethylxanthine)
Formula: C10H12 N4 O2
Molecular Weight: 220.231
Synonyms: 1H-Purine-2,6-dione,3,7-dihydro-3,7-dimethyl-1-(2-propenyl)- (9CI); Theobromine, 1-allyl- (6CI,7CI,8CI);1-Allyl-3,7-dihydro-3,7-dimethyl-2,6-dioxopurine; 1-Allyltheobromine;N1-Allyltheobromine; NSC 40882
Density: 1.32g/cm3
Melting Point: 147 °C
Boiling Point: 431.8°Cat760mmHg
Flash Point: 214.9°C
Safety: Poison by ingestion, subcutaneous, intraperitoneal and intravenous routes. Human systemic effects by ingestion: changes in motor activity and nausea or vomiting. When heated to decomposition it emits highly toxic NOx. See also ALLYL COMPOUNDS.
PSA: 61.82000
LogP: -0.38030
Related products
Hot Products
  • Display:default sort

    New supplier

  • 1-Allyltheobromine

  • Casno:

    2530-99-6

    1-Allyltheobromine

    Min.Order: 1 Kilogram

    FOB Price:  USD $ 3.0-3.0

    As a leading manufacturer and supplier of chemicals in China, DayangChem not only supply popular chemicals, but also DayangChem’s R&D center offer custom synthesis according to the contract research and development services for the fine c

    Dayang Chem (Hangzhou) Co.,Ltd. dedicated to the development, production and marketing of chemicals which is specialized in Organic compounds; Active Pharmaceutical Ingredi

  •  Dayang Chem (Hangzhou) Co.,Ltd.

     China (Mainland)  |  Contact Details

    Business Type:Lab/Research institutions

    Tel:+86-571-88938639

    Address:9/F, Unit 2 Changdi Torch Building, 259# WenSan Road, Xihu District, Hangzhou City 310012, P.R.China

       Inquiry Now

  • 1-Allyl-3,7-dimethylxanthine CAS：2530-99-6

  • Casno:

    2530-99-6

    1-Allyl-3,7-dimethylxanthine CAS：2530-99-6

    Min.Order: 1 Kilogram

    FOB Price:  USD $ 30.0-40.0

    Our advantages: 1, High quality with competitive price: 1) Standard:BP/USP/EP/Enterprise standard 2) All Purity≥99% 3) We are manufacturer and can provide high quality products with factory price. 2, Fast and safe delivery 1) Parcel can be

    Our company specializes in processing and selling chemical raw materials, chemical th Asia, Europe, America, Africa and other more than 20 countries and regions. ? Companies adheri

  •  Hebei Nengqian Chemical Import and Export Co., LTD

     China (Mainland)  |  Contact Details

    Business Type:Trading Company

    Tel:+86 15632961819

    Address:hebei

       Inquiry Now

  • 1-Allyltheobromine

  • Casno:

    2530-99-6

    1-Allyltheobromine

    Min.Order: 1 Gram

    FOB Price:  USD $ 0.0-0.0

    1.In No Less 10 years exporting experience. you can 100% received goods 2.Lower Price with higher quality 3,Free sample 4,We are sincerely responsible for the "product quality" and "After Service" Upbio is Specializ

    Shanghai Upbio Tech Co.,Ltd (Former Onchem (China)Co.,Ltd) is a comprehensive manufacturer and an international distribution of chemicals throughout the world, The predecessor of

  •  Shanghai Upbio Tech Co.,Ltd

     China (Mainland)  |  Contact Details

    Business Type:Lab/Research institutions

    Tel:+86-21-52196435

    Address:No.2 Floor,No.979 Yunhan Rd,Nicheng,Pudong New Area,Shanghai,China

       Inquiry Now

  • 1-Allyltheobromine

  • Casno:

    2530-99-6

    1-Allyltheobromine

    Min.Order: 10 Gram

    FOB Price:  USD $ 0.0-0.0

    Zibo Hangyu Biotechnology Development Co., Ltd is a leading manufacturer and supplier of chemicals in China. We develop produce and distribute high quality pharmaceuticals, intermediates, special chemicals and OLED intermediates and other fine chemi

    Hangyu Biotech is a leading manufacturer and supplier of chemicals in China. We develop produce and distribute high quality pharmaceuticals, intermediates, special chemicals and O

  •  Zibo Hangyu Biotechnology Development Co., Ltd

    China (Mainland)  |  Contact Details

    Business Type:Lab/Research institutions

    Tel:86-15965530500

    Address:Room1701, Tianxing Building,Licheng district, jinan, Shandong, China

       Inquiry Now

  • 1-Allyltheobromine

  • Casno:

    2530-99-6

    1-Allyltheobromine

    Min.Order: 1 Metric Ton

    FOB Price:  USD $ 1.0-1.0

    We are a Union of chemistry in China, consists of chemists，engineers, laboratories,factories in China. We organize surplus capacity of R&D and production as well as custom synthesis for chemical products and chemical business project. We are supp

    We are a Union of chemistry in China, consists of chemists，engineers, laboratories,factories in China. We organize surplus capacity of R&D and production in China for chemicals cus

  •  Bluecrystal chem-union

    China (Mainland)  |  Contact Details

    Business Type:Trading Company

    Tel:+86-1895157

    Address:Liang Xi Qu

       Inquiry Now

  • 1-Allyltheobromine

  • Casno:

    2530-99-6

    1-Allyltheobromine

    Min.Order: 0

    FOB Price:  USD $ 0.0-0.0

    Our own factory produces direct sales with absolute price advantage Application:Pharmaceutical industry Transportation:By sea Port:Shanghai/tianjin

    Antimex Chemical Limied, was founded in 2001, we are specializing in manufacturing & researching of Active pharmaceutical Ingredients,Veterinary pharm APIs,cosmetic ingredients,and

  •  Antimex Chemical Limied

    China (Mainland)  |  Contact Details

    Business Type:Lab/Research institutions

    Tel:0086-21-50563169

    Address:Room1027,No.Jinyu Road,Pudong

       Inquiry Now

  • 1H-Purine-2,6-dione,3,7-dihydro-3,7-dimethyl-1-(2-propen-1-yl)-

  • Casno:

    2530-99-6

    1H-Purine-2,6-dione,3,7-dihydro-3,7-dimethyl-1-(2-propen-1-yl)-

    Min.Order: 100 Kilogram

    FOB Price:  USD $ 0.0-0.0

    1H-Purine-2,6-dione,3,7-dihydro-3,7-dimethyl-1-(2-propen-1-yl)- CAS No.: 2530-99-6 Storage:as prescribe by the manufaurer Package:pack as requested

    INEOS is a global chemical company manufacturing products that are the basis for most modern technology. A business that you may not have heard

  • INEOS Group AG

    Switzerland  |  Contact Details

    Business Type:Trading Company

    Tel:41-216-277040

    Address:Avenue des Uttins 3,1180 Rolle

       Inquiry Now

  • Theophylline Impurity 18

  • Casno:

    2530-99-6

    Theophylline Impurity 18

    Min.Order: 0

    FOB Price:  USD $ 0.0-0.0

    Topbatt Chemical Co., Ltd., Established in 2019, located in Shenzhen, Guangdong Province, is a Manufacturer and Trading company which specialized in fine chemicals like Pharmaceutical Reference Standards and Stable Isotopes. Our Stable Isotopes produ

    Topbatt Chemical Co. Ltd., Established in 2019, located in Shenzhen, Guangdong Province, is a Manufacturer and Trading company which specialized in fine chemicals like Pharmaceutic

  • Topbatt Chemical Co., Ltd.

     China (Mainland)  |  Contact Details

    Business Type:Lab/Research institutions

    Tel:13828841343

    Address:Rm#A802, National Engineering Laboratory Building, Nanshan District, Shenzhen, China

       Inquiry Now

  • Theophylline Impurity 18

  • Casno:

    2530-99-6

    Theophylline Impurity 18

    Min.Order: 0

    FOB Price:  USD $ 0.0-0.0

    1. Our staff are all biomedical related majors with rich experience in the pharmaceutical industry, and can provide you with more professional services.2. Our supplier has a good quality management system, and the quality of products is reliable and

  • Shenzhen Sumshine Biotech Co., Ltd.

     China (Mainland)  |  Contact Details

    Business Type:Trading Company

    Tel:15914108025

    Address:229A, No.15, Xinbeli Industrial Zone, Xinshi Community, Dalang Street, Longhua District

       Inquiry Now

  • Total:9 Page 1 of 1 1
Post a RFQ

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

1

What can I do for you?
Get Best Price

Get Best Price for 2530-99-6

Chemistry

Product Name: 1-Allyltheobromine 
CAS Registry Number: 2530-99-6 
Synonyms: 1-Allyltheobromine ; 5-26-13-00565 (Beilstein Handbook Reference) ; Allyltheobromine ; BRN 0226010 ; NSC 40882 
Systematic Name: 1H-Purine-2,6-dione, 3,7-dihydro-3,7-dimethyl-1-(2-propenyl)- (9CI) ; Theobromine, 1-allyl- 
IUPAC Name: 3,7-dimethyl-1-prop-2-enylpurine-2,6-dione
Molecular Weight: 220.22788 [g/mol]
Molecular Formula: C10H12N4O2
XLogP3: 0.6
H-Bond Acceptor: 3 
Surface Tension: 50.5 dyne/cm
Density: 1.32 g/cm3
Flash Point: 214.9 °C
Enthalpy of Vaporization: 68.74 kJ/mol
Boiling Point: 431.8 °C at 760 mmHg
Vapour Pressure: 1.17E-07 mmHg at 25°C
Following is the molecular structure of 1-Allyltheobromine (CAS NO.2530-99-6) is:

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
human TDLo oral 26mg/kg (26mg/kg) BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)

GASTROINTESTINAL: NAUSEA OR VOMITING		 Journal of Pharmacology and Experimental Therapeutics. Vol. 86, Pg. 113, 1946.
mouse LD50 intraperitoneal 102mg/kg (102mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 116, Pg. 343, 1956.
mouse LD50 intravenous 40mg/kg (40mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Journal of Pharmacology and Experimental Therapeutics. Vol. 86, Pg. 113, 1946.
mouse LD50 oral 191mg/kg (191mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 116, Pg. 343, 1956.
mouse LDLo subcutaneous 125mg/kg (125mg/kg) PERIPHERAL NERVE AND SENSATION: FLACCID PARALYSIS WITHOUT ANESTHESIA (USUALLY NEUROMUSCULAR BLOCKAGE)

BEHAVIORAL: EXCITEMENT

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES		 Archives Internationales de Pharmacodynamie et de Therapie. Vol. 25, Pg. 361, 1921.
rabbit LDLo intravenous 50mg/kg (50mg/kg) PERIPHERAL NERVE AND SENSATION: FLACCID PARALYSIS WITHOUT ANESTHESIA (USUALLY NEUROMUSCULAR BLOCKAGE)

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES

BEHAVIORAL: EXCITEMENT		 Archives Internationales de Pharmacodynamie et de Therapie. Vol. 25, Pg. 361, 1921.
rabbit LDLo subcutaneous 100mg/kg (100mg/kg) PERIPHERAL NERVE AND SENSATION: FLACCID PARALYSIS WITHOUT ANESTHESIA (USUALLY NEUROMUSCULAR BLOCKAGE)

BEHAVIORAL: EXCITEMENT

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES		 Archives Internationales de Pharmacodynamie et de Therapie. Vol. 25, Pg. 361, 1921.

Safety Profile

Poison by ingestion, subcutaneous, intraperitoneal and intravenous routes. Human systemic effects by ingestion: changes in motor activity and nausea or vomiting. When heated to decomposition it emits highly toxic NOx.

Specification

Descriptors computed from structure, you can know some information about 1-Allyltheobromine (CAS NO.2530-99-6) :
Canonical SMILES: CN1C=NC2=C1C(=O)N(C(=O)N2C)CC=C
InChI: InChI=1S/C10H12N4O2/c1-4-5-14-9(15)7-8(11-6-12(7)2)13(3)10(14)16/h4,6H,1,5H2,2-3H3
InChIKey: BTFHIKZOEZREBX-UHFFFAOYSA-N
Exact Mass: 220.096026
MonoIsotopic Mass: 220.096026
Topological Polar Surface Area: 58.4
Heavy Atom Count: 16