N-[(1S)-1-Phenylethyl]benzamide supplier

Name
(S)-(-)-N-BENZOYL-ALPHA-METHYLBENZYLAMINE
EINECS
CAS No. 4108-58-1
Article Data65
CAS DataBase
Density 1.084 g/cm³
Solubility
Melting Point 119-121 °C
Formula C₁₅H₁₅NO
Boiling Point 422.8 °C at 760 mmHg
Molecular Weight 225.29
Flash Point 254.9 °C
Transport Information
Appearance
Safety 24/25
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms (S)-(-)-N-Benzoyl-alpha-methylbenzylamine;
PSA 29.10000
LogP 3.56850

N-[(1S)-1-Phenylethyl]benzamide 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

Product Name

(S)-(-)-N-BENZOYL-ALPHA-METHYLBENZYLAMINE

N-[(1S)-1-Phenylethyl]benzamide Specification

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