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Benzenepropanamide, α-amino-

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Name

Benzenepropanamide, α-amino-

EINECS N/A
CAS No. 17193-31-6 Density 1.143 g/cm3
PSA 69.11000 LogP 1.44230
Solubility N/A Melting Point N/A
Formula C9H12N2O Boiling Point 356.9 °C at 760 mmHg
Molecular Weight 164.207 Flash Point 169.7 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 17193-31-6 (H-DL-Phe-NH2) Hazard Symbols N/A
Synonyms

DL-Phenylalanine amide;

Article Data 32

Benzenepropanamide, α-amino- Specification

The Benzenepropanamide, α-amino-, with the CAS registry number 17193-31-6, is also known as DL-Phenylalanine amide. This chemical's molecular formula is C9H12N2O and molecular weight is 164.2044. What's more, its systematic name is Phenylalaninamide.

Physical properties about Benzenepropanamide, α-amino- are: (1)ACD/LogP: 0.18; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 7.4): 0.01; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 20.13; (8)#H bond acceptors: 3; (9)#H bond donors: 4; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 23.55 Å2; (12)Index of Refraction: 1.575; (13)Molar Refractivity: 47.49 cm3; (14)Molar Volume: 143.6 cm3; (15)Polarizability: 18.82×10-24 cm3; (16)Surface Tension: 51.2 dyne/cm; (17)Density: 1.143 g/cm3; (18)Flash Point: 169.7 °C; (19)Enthalpy of Vaporization: 60.22 kJ/mol; (20)Boiling Point: 356.9 °C at 760 mmHg; (21)Vapour Pressure: 2.83E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(N)C(N)Cc1ccccc1
(2) InChI: InChI=1/C9H12N2O/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H2,11,12)
(3) InChIKey: OBSIQMZKFXFYLV-UHFFFAOYAA

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