3-Pyrrolidinecarboxylicacid, 4,4-dimethyl- supplier

Name
4,4-DIMETHYL-PYRROLIDINE-3-CARBOXYLIC ACID
EINECS
CAS No. 261896-35-9
Article Data2
CAS DataBase
Density 1.057 g/cm³
Solubility
Melting Point
Formula C₇H₁₃NO₂
Boiling Point 246.2 °C at 760 mmHg
Molecular Weight 143.186
Flash Point 102.7 °C
Transport Information
Appearance
Safety 26
Risk Codes 36
Molecular Structure
Hazard Symbols Xi
Synonyms 4,4-Dimethylpyrrolidine-3-carboxylic acid;
PSA 49.33000
LogP 0.64540

3-Pyrrolidinecarboxylicacid, 4,4-dimethyl- Specification

The 3-Pyrrolidinecarboxylicacid, 4,4-dimethyl-, with the CAS registry number 261896-35-9, is also known as 4,4-Dimethyl-pyrrolidine-3-carboxylic acid. It belongs to the product category of Pharmacetical. This chemical's molecular formula is C₇H₁₃NO₂ and molecular weight is 143.18. What's more, both its IUPAC name and systematic name are the same which is called 4,4-Dimethylpyrrolidine-3-carboxylic acid.

Physical properties about 3-Pyrrolidinecarboxylicacid, 4,4-dimethyl- are: (1)ACD/LogP: 0.58; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 3; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 49.33 Å²; (11)Index of Refraction: 1.462; (12)Molar Refractivity: 37.224 cm³; (13)Molar Volume: 135.412 cm³; (14)Surface Tension: 33.359 dyne/cm; (15)Density: 1.057 g/cm³; (16)Flash Point: 102.713 °C; (17)Enthalpy of Vaporization: 53.226 kJ/mol; (18)Boiling Point: 246.225 °C at 760 mmHg; (19)Vapour Pressure: 0.009 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: CC1(CNCC1C(=O)O)C
(2) InChI: InChI=1/C7H13NO2/c1-7(2)4-8-3-5(7)6(9)10/h5,8H,3-4H2,1-2H3,(H,9,10)
(3) InChIKey: FWOHOVIXBANHEB-UHFFFAOYAN

Product Name

4,4-DIMETHYL-PYRROLIDINE-3-CARBOXYLIC ACID

3-Pyrrolidinecarboxylicacid, 4,4-dimethyl- Specification

Related Products

Hot Products