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4108-58-1

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Basic Information
CAS No.: 4108-58-1
Name: (S)-(-)-N-BENZOYL-ALPHA-METHYLBENZYLAMINE
Article Data: 65
Molecular Structure:
Molecular Structure of 4108-58-1 ((S)-(-)-N-BENZOYL-ALPHA-METHYLBENZYLAMINE)
Formula: C15H15NO
Molecular Weight: 225.29
Synonyms: (S)-(-)-N-Benzoyl-alpha-methylbenzylamine;
Density: 1.084 g/cm3
Melting Point: 119-121 °C
Boiling Point: 422.8 °C at 760 mmHg
Flash Point: 254.9 °C
Safety: 24/25
PSA: 29.10000
LogP: 3.56850
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Specification

The CAS register number of N-[(1S)-1-Phenylethyl]benzamide is 4108-58-1. It also can be called as (S)-(-)-N-Benzoyl-alpha-methylbenzylamine and the IUPAC name about this chemical is N-[(1S)-1-phenylethyl]benzamide. The molecular formula about this chemical is C15H15NO and the molecular weight is 225.29. When you are using it, please avoid contact with skin and eyes.

Physical properties about N-[(1S)-1-phenylethyl]benzamide are: (1)ACD/LogP: 3.29; (2)ACD/LogD (pH 5.5): 3.29; (3)ACD/LogD (pH 7.4): 3.29; (4)ACD/BCF (pH 5.5): 187.67; (5)ACD/BCF (pH 7.4): 187.67; (6)ACD/KOC (pH 5.5): 1475.36; (7)ACD/KOC (pH 7.4): 1475.36; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 20.31Å2; (12)Index of Refraction: 1.578; (13)Molar Refractivity: 68.99 cm3; (14)Molar Volume: 207.7 cm3; (15)Polarizability: 27.35x10-24cm3; (16)Surface Tension: 42.6 dyne/cm; (17)Flash Point: 254.9 °C; (18)Enthalpy of Vaporization: 67.71 kJ/mol; (19)Boiling Point: 422.8 °C at 760 mmHg; (20)Vapour Pressure: 2.34E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(N[C@H](c1ccccc1)C)c2ccccc2
(2)InChI: InChI=1/C15H15NO/c1-12(13-8-4-2-5-9-13)16-15(17)14-10-6-3-7-11-14/h2-12H,1H3,(H,16,17)/t12-/m0/s1
(3)InChIKey: FALTVGCCGMDSNZ-LBPRGKRZBX
(4)Std. InChI: InChI=1S/C15H15NO/c1-12(13-8-4-2-5-9-13)16-15(17)14-10-6-3-7-11-14/h2-12H,1H3,(H,16,17)/t12-/m0/s1
(5)Std. InChIKey: FALTVGCCGMDSNZ-LBPRGKRZSA-N