4-(cyclopentylamino)-4-oxobutanoic acid supplier

Name
CHEMBRDG-BB 7251358
EINECS
CAS No. 541537-57-9
Density 1.16 g/cm³
Solubility
Melting Point
Formula C₉H₁₅NO₃
Boiling Point 434.3 °C at 760 mmHg
Molecular Weight 185.221
Flash Point 216.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Butanoic acid, 4-(cyclopentylamino)-4-oxo-;
PSA 66.40000
LogP 1.30090

4-(cyclopentylamino)-4-oxobutanoic acid Specification

The 3-(Cyclopentylcarbamoyl)propanoic acid, with the CAS registry number 541537-57-9, is also known as Butanoic acid, 4-(cyclopentylamino)-4-oxo-. This chemical's molecular formula is C₉H₁₅NO₃ and molecular weight is 185.221. What's more, its systematic name is 4-(Cyclopentylamino)-4-oxobutanoic acid.

Physical properties about 3-(Cyclopentylcarbamoyl)propanoic acid are: (1)ACD/LogP: 0.25; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.72; (4)ACD/LogD (pH 7.4): -2.53; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 3.45; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 46.61 Å²; (13)Index of Refraction: 1.503; (14)Molar Refractivity: 47.06 cm³; (15)Molar Volume: 159 cm³; (16)Polarizability: 18.65×10^-24 cm³; (17)Surface Tension: 46.1 dyne/cm; (18)Density: 1.16 g/cm³; (19)Flash Point: 216.5 °C; (20)Enthalpy of Vaporization: 75.71 kJ/mol; (21)Boiling Point: 434.3 °C at 760 mmHg; (22)Vapour Pressure: 9.27E-09 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(NC1CCCC1)CCC(=O)O
(2) InChI: InChI=1/C9H15NO3/c11-8(5-6-9(12)13)10-7-3-1-2-4-7/h7H,1-6H2,(H,10,11)(H,12,13)
(3) InChIKey: NUNSFUWCFOMRJP-UHFFFAOYAY

Product Name

CHEMBRDG-BB 7251358

4-(cyclopentylamino)-4-oxobutanoic acid Specification

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