Name: (S)-4-Amino-3-p-tolylbutanoic acid
SKU: 67112-57-6

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Basic Information

Molecular Structure:
CAS No.:	67112-57-6
Name:	(S)-4-Amino-3-p-tolylbutanoic acid

Formula:	C₁₁H₁₅NO₂
Molecular Weight:	193.246
Synonyms:	benzenepropanoic acid, β-(aminomethyl)-4-methyl-, (betaS)-;(3S)-4-Amino-3-(4-methylphenyl)butanoic acid;
Density:	1.132 g/cm³
Boiling Point:	345.5 °C at 760 mmHg
Flash Point:	162.7 °C
PSA:	63.32000
LogP:	2.21230

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Specification

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 C₁₁H₁₅NO₂and 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