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77897-23-5

Basic Information
CAS No.: 77897-23-5
Name: (S)-3-BENZYLMORPHOLINE
Article Data: 11
Molecular Structure:
Molecular Structure of 77897-23-5 ((S)-3-BENZYLMORPHOLINE)
Formula: C11H15NO
Molecular Weight: 177.246
Synonyms: Morpholine,3-(phenylmethyl)-, (S)-;(3S)-3-Benzylmorpholine;(S)-3-(Phenylmethyl)morpholine;(S)-3-Benzylmorpholine;morpholine, 3-(phenylmethyl)-, (3S)-;
Density: 1.031 g/cm3
Boiling Point: 280.014 °C at 760 mmHg
Flash Point: 110.773 °C
PSA: 21.26000
LogP: 1.54630
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Specification

The Morpholine,3-(phenylmethyl)-, (3S)-, with the CAS registry number 77897-23-5, has systematic name of (3S)-3-benzylmorpholine. It belongs to the product category of Pharmacetical. And the molecular formula of the chemical is C11H15NO.

The characteristics of Morpholine,3-(phenylmethyl)-, (3S)- are as followings: (1)ACD/LogP: 1.27; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2; (4)ACD/LogD (pH 7.4): -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): 2; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 21.26 Å2; (13)Index of Refraction: 1.524; (14)Molar Refractivity: 52.567 cm3; (15)Molar Volume: 171.832 cm3; (16)Polarizability: 20.839×10-24cm3; (17)Surface Tension: 38.734 dyne/cm; (18)Density: 1.031 g/cm3; (19)Flash Point: 110.773 °C; (20)Enthalpy of Vaporization: 51.873 kJ/mol; (21)Boiling Point: 280.014 °C at 760 mmHg; (22)Vapour Pressure: 0.004 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O1C[C@@H](NCC1)Cc2ccccc2
(2)InChI: InChI=1/C11H15NO/c1-2-4-10(5-3-1)8-11-9-13-7-6-12-11/h1-5,11-12H,6-9H2/t11-/m0/s1
(3)InChIKey: LSXCLMMIDIVSFG-NSHDSACABF