Basic Information | Post buying leads | Suppliers |
Name |
(S)-4-Amino-3-p-tolylbutanoic acid |
EINECS | N/A |
CAS No. | 67112-57-6 | Density | 1.132 g/cm3 |
PSA | 63.32000 | LogP | 2.21230 |
Solubility | N/A | Melting Point |
N/A |
Formula | C11H15NO2 | Boiling Point | 345.5 °C at 760 mmHg |
Molecular Weight | 193.246 | Flash Point | 162.7 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
benzenepropanoic acid, β-(aminomethyl)-4-methyl-, (betaS)-;(3S)-4-Amino-3-(4-methylphenyl)butanoic acid; |
The CAS register number of (S)-4-Amino-3-p-tolylbutanoic acid is 67112-57-6. It also can be called as benzenepropanoic acid, β-(aminomethyl)-4-methyl-, (betaS)- and the systematic name about this chemical is (3S)-4-amino-3-(4-methylphenyl)butanoic acid. The molecular formula about this chemical is C11H15NO2 and molecular weight is 193.24.
Physical properties about (S)-4-Amino-3-p-tolylbutanoic acid are: (1)ACD/LogP: 1.43 ; (2)#H bond acceptors: 3; (3)#H bond donors: 3; (4)#Freely Rotating Bonds: 5; (5)Polar Surface Area: 29.54Å2; (6)Index of Refraction: 1.557; (7)Molar Refractivity: 54.99 cm3; (8)Molar Volume: 170.5 cm3; (9)Polarizability: 21.8x10-24cm3; (10)Surface Tension: 48.6 dyne/cm; (11)Enthalpy of Vaporization: 62.22 kJ/mol; (12)Boiling Point: 345.5 °C at 760 mmHg; (13)Vapour Pressure: 2.33E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C[C@@H](c1ccc(cc1)C)CN
(2)InChI: InChI=1/C11H15NO2/c1-8-2-4-9(5-3-8)10(7-12)6-11(13)14/h2-5,10H,6-7,12H2,1H3,(H,13,14)/t10-/m1/s1
(3)InChIKey: MSZRPURXKHMSFF-SNVBAGLBBX
(4)Std. InChI: InChI=1S/C11H15NO2/c1-8-2-4-9(5-3-8)10(7-12)6-11(13)14/h2-5,10H,6-7,12H2,1H3,(H,13,14)/t10-/m1/s1
(5)Std. InChIKey: MSZRPURXKHMSFF-SNVBAGLBSA-N