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Name |
3-Pyrrolidinecarboxylicacid, 4,4-dimethyl- |
EINECS | N/A |
CAS No. | 261896-35-9 | Density | 1.057 g/cm3 |
PSA | 49.33000 | LogP | 0.64540 |
Solubility | N/A | Melting Point |
N/A |
Formula | C7H13NO2 | Boiling Point | 246.2 °C at 760 mmHg |
Molecular Weight | 143.186 | Flash Point | 102.7 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 26 | Risk Codes | 36 |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
4,4-Dimethylpyrrolidine-3-carboxylic acid; |
Article Data | 2 |
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