Basic Information | Post buying leads | Suppliers | Cas Database |
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 | Hazard Symbols | N/A | |
Synonyms |
DL-Phenylalanine amide; |
Article Data | 32 |
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