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Name |
Butanoic acid,4-oxo-4-[(phenylmethyl)amino]- |
EINECS | N/A |
CAS No. | 64984-60-7 | Density | 1.202 g/cm3 |
PSA | 66.40000 | LogP | 1.55850 |
Solubility | N/A | Melting Point |
N/A |
Formula | C11H13NO3 | Boiling Point | 483.3 °C at 760 mmHg |
Molecular Weight | 207.229 | Flash Point | 246.1 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
3-(Benzylcarbamoyl)propanoic acid;4-(Benzylamino)-4-oxobutanoic acid; |
Article Data | 19 |
The Butanoic acid,4-oxo-4-[(phenylmethyl)amino]-, with the CAS registry number of 64984-60-7, is also known as 3-(Benzylcarbamoyl)propanoic acid. The molecular formula of this chemical is C11H13NO3 and its molecular weight is 207.22582. What's more, its IUPAC name is 4-(Benzylamino)-4-oxobutanoic acid.
Physical properties about Butanoic acid,4-oxo-4-[(phenylmethyl)amino]- are: (1)ACD/LogP: 0.55; (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): 5.07; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 5; (10)Polar Surface Area: 46.61 Å2; (11)Index of Refraction: 1.549; (12)Molar Refractivity: 54.88 cm3; (13)Molar Volume: 172.3 cm3; (14)Polarizability: 21.75×10-24 cm3; (15)Surface Tension: 49.9 dyne/cm; (16)Density: 1.202 g/cm3; (17)Flash Point: 246.1 °C; (18)Enthalpy of Vaporization: 78.83 kJ/mol; (19)Boiling Point: 483.3 °C at 760 mmHg; (20)Vapour Pressure: 3.75E-10 mmHg at 25 °C.
Preparation of Butanoic acid,4-oxo-4-[(phenylmethyl)amino]-: this chemical is prepared by reaction of Succinic acid anhydride with Benzylamine. The reaction needs solvent Acetonitrile. The reaction time is 10 hours with reaction temperature of 40 °C. The yield is about 23 %.
Uses of Butanoic acid,4-oxo-4-[(phenylmethyl)amino]-: it is used to produce other chemicals. For example, it is used to produce N-Benzyl-succinimide by heating. This reaction needs reagents AcONa and Ac2O. The reaction time is 8 hours.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)CCC(=O)NCc1ccccc1
(2) InChI: InChI=1/C11H13NO3/c13-10(6-7-11(14)15)12-8-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,12,13)(H,14,15)
(3) InChIKey: GFVMZKFJMYHDNM-UHFFFAOYAL