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Name |
Benzeneacetic acid, α-amino-3-methyl-, (αR)- |
EINECS | N/A |
CAS No. | 187979-43-7 | Density | 1.2 g/cm3 |
PSA | 63.32000 | LogP | 1.77970 |
Solubility | N/A | Melting Point |
N/A |
Formula | C9H11NO2 | Boiling Point | 303.3 °C at 760 mmHg |
Molecular Weight | 165.192 | Flash Point | 137.2 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Benzeneaceticacid, α-amino-3-methyl-, (R)- (9CI); |
Article Data | 2 |
This chemical is called Benzeneacetic acid, α-amino-3-methyl-, (αR)-, and its systematic name is amino(3-methylphenyl)acetic acid. With the molecular formula of C9H11NO2, its molecular weight is 165.19. The CAS registry number of this chemical is 187979-43-7.
Other characteristics of the Benzeneacetic acid, α-amino-3-methyl-, (αR)- can be summarised as followings: (1)ACD/LogP: 1.40; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.1; (4)ACD/LogD (pH 7.4): -1.1; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 29.54 Å2; (13)Index of Refraction: 1.579; (14)Molar Refractivity: 45.72 cm3; (15)Molar Volume: 137.5 cm3; (16)Polarizability: 18.12×10-24cm3; (17)Surface Tension: 52.8 dyne/cm; (18)Density: 1.2 g/cm3; (19)Flash Point: 137.2 °C; (20)Enthalpy of Vaporization: 57.4 kJ/mol; (21)Boiling Point: 303.3 °C at 760 mmHg; (22)Vapour Pressure: 0.000413 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O=C(O)C(N)c1cccc(c1)C
2.InChI: InChI=1/C9H11NO2/c1-6-3-2-4-7(5-6)8(10)9(11)12/h2-5,8H,10H2,1H3,(H,11,12)
3.InChIKey: LUSUJXIQPCPYCT-UHFFFAOYAH