Morpholine,3-(phenylmethyl)-, (3S)- supplier

Name
(S)-3-BENZYLMORPHOLINE
EINECS
CAS No. 77897-23-5
Article Data11
CAS DataBase
Density 1.031 g/cm³
Solubility
Melting Point
Formula C₁₁H₁₅NO
Boiling Point 280.014 °C at 760 mmHg
Molecular Weight 177.246
Flash Point 110.773 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Morpholine,3-(phenylmethyl)-, (S)-;(3S)-3-Benzylmorpholine;(S)-3-(Phenylmethyl)morpholine;(S)-3-Benzylmorpholine;morpholine, 3-(phenylmethyl)-, (3S)-;
PSA 21.26000
LogP 1.54630

Morpholine,3-(phenylmethyl)-, (3S)- 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

Product Name

(S)-3-BENZYLMORPHOLINE

Morpholine,3-(phenylmethyl)-, (3S)- Specification

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