3-Morpholinemethanol,4-(phenylmethyl)-, (3S)- supplier

Name
3(S)-HYDROXYMETHYL-4-BENZYLMORPHOLINE
EINECS
CAS No. 101376-25-4
Article Data7
CAS DataBase
Density 1.117 g/cm³
Solubility
Melting Point 230-231 °C(Solv: ethanol (64-17-5); ethyl ether (60-29-7))
Formula C₁₂H₁₇NO₂
Boiling Point 322.7 °C at 760 mmHg
Molecular Weight 207.272
Flash Point 149 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms (S)-4-Benzyl-3-hydroxymethylmorpholine;
PSA 32.70000
LogP 0.81760

3-Morpholinemethanol,4-(phenylmethyl)-, (3S)- Specification

The 3-Morpholinemethanol,4-(phenylmethyl)-, (3S)-, with the CAS registry number 101376-25-4, is also known as (S)-4-Benzyl-3-hydroxymethylmorpholine. This chemical's molecular formula is C₁₂H₁₇NO₂ and molecular weight is 207.2689. What's more, its systematic name is called [(3S)-4-Benzylmorpholin-3-yl]methanol.

Physical properties about 3-Morpholinemethanol,4-(phenylmethyl)-, (3S)- are: (1)ACD/LogP: 1.28; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.37; (4)ACD/LogD (pH 7.4): 1.24; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 5.06; (7)ACD/KOC (pH 5.5): 14.46; (8)ACD/KOC (pH 7.4): 108.43; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 21.7 Å²; (13)Index of Refraction: 1.549; (14)Molar Refractivity: 59.01 cm³; (15)Molar Volume: 185.4 cm³; (16)Polarizability: 23.39×10^-24 cm³; (17)Surface Tension: 43.4 dyne/cm; (18)Density: 1.117 g/cm³; (19)Flash Point: 149 °C; (20)Enthalpy of Vaporization: 59.6 kJ/mol; (21)Boiling Point: 322.7 °C at 760 mmHg; (22)Vapour Pressure: 0.000113 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: OC[C@@H]2N(Cc1ccccc1)CCOC2
(2) InChI: InChI=1/C12H17NO2/c14-9-12-10-15-7-6-13(12)8-11-4-2-1-3-5-11/h1-5,12,14H,6-10H2/t12-/m0/s1
(3) InChIKey: CPLXVETYMUMERG-LBPRGKRZBG

Product Name

3(S)-HYDROXYMETHYL-4-BENZYLMORPHOLINE

3-Morpholinemethanol,4-(phenylmethyl)-, (3S)- Specification

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