Diallylamine

Base Information

• Chemical Name: Diallylamine
• CAS No.: 124-02-7
• Deprecated CAS: 1263263-74-6
• Molecular Formula: C6H11N
• Molecular Weight: 97.16
• Hs Code.: 2921.19
• European Community (EC) Number: 204-671-2
• ICSC Number: 0866
• NSC Number: 20948
• UN Number: 2359
• UNII: N18EXB6V6P
• DSSTox Substance ID: DTXSID1024918
• Nikkaji Number: J2.503H
• Wikipedia: Diallylamine
• Wikidata: Q1208441
• ChEMBL ID: CHEMBL3186706
• Mol file: 124-02-7.mol

Synonyms:Diallylamine;124-02-7;2-Propen-1-amine, N-2-propenyl-;Di-2-propenylamine;Amine, diallyl-;bis(prop-2-en-1-yl)amine;N-prop-2-enylprop-2-en-1-amine;CCRIS 4776;N-2-PROPENYL-2-PROPEN-1-AMINE;HSDB 5471;EINECS 204-671-2;NSC 20948;UN2359;UNII-N18EXB6V6P;N-allylprop-2-en-1-amine;BRN 0773718;N18EXB6V6P;2-Propen-1-amine, N-2-propen-1-yl-;AI3-15324;DTXSID1024918;NSC-20948;4-04-00-01060 (Beilstein Handbook Reference);DTXCID704918;CAS-124-02-7;diallyl amine;diallyl-amine;bis(allyl)amine;di-allyl amine;N,N-Diallylamine;N,N-diallyl amine;Diallylamine, 99%;N,N-Diallylamine #;DIALLYLAMINE [MI];N,N-Di(2-propenyl)amine;(CH2=CHCH2)2NH;WLN: 1U2M2U1;CHEMBL3186706;AMY25549;BCP30054;NSC20948;STR01759;Tox21_201555;Tox21_303139;LS-689;MFCD00008642;NA2359;N-2-Propen-1-yl-2-propen-1-amine;AKOS000119778;UN 2359;NCGC00249067-01;NCGC00257162-01;NCGC00259104-01;2-propen-1-, Amina N-2-propen-1-il-;Diallylamine [UN2359] [Flammable liquid];D0069;Diallylamine [UN2359] [Flammable liquid];FT-0624608;EN300-19612;N-2-PROPENYL-2-PROPEN-1-AMINE [HSDB];J-005025;J-520225;Q1208441;F2190-0524;Z104474454;2-Propen-1-amine, N-2-propenyl- pound>>Di-2-propenylamine pound>>bis(prop-2-en-1-yl)amine

Chemical Property of Diallylamine

Chemical Property:

• Appearance/Colour: clear colourless to yellow liquid
• Vapor Pressure: 19.2mmHg at 25°C
• Melting Point: -88 °C
• Refractive Index: 1.4405
• Boiling Point: 115.3 °C at 760 mmHg
• PKA: 9.02±0.20(Predicted)
• Flash Point: 15.6 °C
• PSA: 12.03000
• Density: 0.767 g/cm³
• LogP: 1.33890
• Water Solubility.: 8.6 g/100mL
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 97.089149355
• Heavy Atom Count: 7
• Complexity: 49.2
• Transport DOT Label: Flammable Liquid Poison Corrosive

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s): T,F
• Hazard Codes: F:Flammable;;
• Statements: R11:; R20/22:; R24:; R34:
• Safety Statements: S16:; S26:; S28A:; S36/37/39:; S45:

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Nitrogen Compounds -> Amines, Aliphatic
• Canonical SMILES: C=CCNCC=C
• Inhalation Risk: No indication can be given about the rate at which a harmful concentration of this substance in the air is reached on evaporation at 20 °C.
• Effects of Short Term Exposure: The substance is corrosive to the eyes, skin and respiratory tract. Corrosive on ingestion. Inhalation of fumes may cause lung oedema. Exposure could cause severe swelling of the throat. The substance may cause effects on cardiovascular system and nervous system. This may result in cardiac disorders and impaired functions. The effects may be delayed. Medical observation is indicated.
• Effects of Long Term Exposure: Repeated or prolonged contact with skin may cause dermatitis. The substance may have effects on the respiratory tract and lungs. This may result in chronic inflammation and impaired functions.

Technology Process of Diallylamine

There total 29 articles about Diallylamine which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 96.0%

Diallyl-carbamic acid 1-(3,5-dimethoxy-phenyl)-2-oxo-2-phenyl-ethyl ester → 5,7-Dimethoxy-2-phenylbenzofuran (34911-33-6) + diallylamine (124-02-7)

Guidance literature:

In benzene; Irradiation;

DOI:10.1016/0040-4039(95)01184-J

Reference yield: 90.0%

N,N-Diallylpyridine-2-sulfonamide → diallylamine (124-02-7)

Guidance literature:

With samarium diiodide; In tetrahydrofuran; for 4h; Ambient temperature;

DOI:10.1021/jo00123a041

Reference yield: 85.0%

N-butylamine (109-73-9,85404-21-3) + allyl alcohol (107-18-6) → N-allyl-N-butylamine (4538-09-4) + diallylamine (124-02-7)

Guidance literature:

With ammonium hexafluorophosphate; [Pt(η3-C3H5)(DPP-Xantphos)]PF6; In toluene; acetonitrile; at 30 ℃; for 44h; Inert atmosphere;

DOI:10.1002/chem.200801197

upstream raw materials:

Diallylcyanamid

allyl bromide

1-amino-2-propene

3-chloroprop-1-ene

Downstream raw materials:

(N,N-diallyl)-2-aminoethanol

2-(Diallyl)-aminoethanthiol

1,1-Diallyl-1,4-diaza-butan

N,N-diallyltryptamine

Refernces

• 1、 -. "Preparation method of allyl amine mixture". Paragraph 0013; 0014; 0015; 0016; 0017. . Retrieved 2017/04/27.
• 2、 Ling, Zhen,Yun, Lin,Liu, Lianghui,Wu, Bing,Fu, Xuefeng. "Aerobic oxidative N-dealkylation of tertiary amines in aqueous solution catalyzed by rhodium porphyrins". supporting information. p. 4214 - 4216. Retrieved 2013/05/22.