CAS No.101376-26-5,(R)-4-BENZYL-3-HYDROXYMETHYLMORPHOLINE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	101376-26-5
Name:	(R)-4-BENZYL-3-HYDROXYMETHYLMORPHOLINE
Article Data:	8

Formula:	C₁₂H₁₇NO₂
Molecular Weight:	207.272
Synonyms:	3-Morpholinemethanol,4-(phenylmethyl)-, (R)-;(R)-(4-Benzylmorpholin-3-yl)methanol;
Density:	1.117 g/cm³
Melting Point:	229-230 °C(Solv: ethanol (64-17-5); ethyl ether (60-29-7))
Boiling Point:	322.7 °C at 760 mmHg
Flash Point:	149 °C
PSA:	32.70000
LogP:	0.81760

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Specification

The 3-Morpholinemethanol, 4-(phenylmethyl)-, (3R)-, with the CAS registry number 101376-26-5, is also known as (R)-4-Benzyl-3-hydroxymethylmorpholine. This chemical's molecular formula is C₁₂H₁₇NO₂ and molecular weight is 207.268880. What's more, its IUPAC name is [(3R)-4-Benzylmorpholin-3-yl]methanol.

Physical properties about 3-Morpholinemethanol, 4-(phenylmethyl)-, (3R)- 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)nthalpy 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-/m1/s1
(3) InChIKey: CPLXVETYMUMERG-GFCCVEGCBQ