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

1H-Pyrrole-3-propanoicacid, 2,4-dimethyl-

Related Products

Hot Products

Name

1H-Pyrrole-3-propanoicacid, 2,4-dimethyl-

EINECS N/A
CAS No. 54474-50-9 Density 1.159 g/cm3
PSA 53.09000 LogP 1.64870
Solubility N/A Melting Point 140-141 °C
Formula C9H13NO2 Boiling Point 332.8 °C at 760 mmHg
Molecular Weight 167.208 Flash Point 155.1 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 54474-50-9 (2,4-DIMETHYL-3-PYRROLEPROPIONIC ACID) Hazard Symbols N/A
Synonyms

Pyrrole-3-propionicacid, 2,4-dimethyl- (6CI,7CI);3-(2,4-Dimethyl-1H-pyrrol-3-yl)propionic acid;

Article Data 26

1H-Pyrrole-3-propanoicacid, 2,4-dimethyl- Specification

The 1H-Pyrrole-3-propanoicacid, 2,4-dimethyl-, with the CAS registry number 54474-50-9, is also known as ZINC04202577. It belongs to the product category of Pharmacetical. This chemical's molecular formula is C9H13NO2 and molecular weight is 167.21. Its IUPAC name is called 3-(2,4-dimethyl-1H-pyrrol-3-yl)propanoate.

Physical properties of 1H-Pyrrole-3-propanoicacid, 2,4-dimethyl-: (1)ACD/LogP: 1.29; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.52; (4)ACD/LogD (pH 7.4): -1.27; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 20.36; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Index of Refraction: 1.551; (13)Molar Refractivity: 46.08 cm3; (14)Molar Volume: 144.2 cm3; (15)Surface Tension: 48.3 dyne/cm; (16)Density: 1.159 g/cm3; (17)Flash Point: 155.1 °C; (18)Enthalpy of Vaporization: 60.75 kJ/mol; (19)Boiling Point: 332.8 °C at 760 mmHg; (20)Vapour Pressure: 5.67E-05 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=CNC(=C1CCC(=O)[O-])C
(2)InChI: InChI=1S/C9H13NO2/c1-6-5-10-7(2)8(6)3-4-9(11)12/h5,10H,3-4H2,1-2H3,(H,11,12)/p-1
(3)InChIKey: SAGABBLUUSFKNW-UHFFFAOYSA-M

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 54474-50-9