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Basic Information
CAS No.: 162536-40-5
Name: (2R,3S)-3-(tert-Butoxycarbonylamino)-1-chloro-2-hydroxy-4-phenylbutane
Article Data: 17
Molecular Structure:
Molecular Structure of 162536-40-5 ((2R,3S)-3-(tert-Butoxycarbonylamino)-1-chloro-2-hydroxy-4-phenylbutane)
Formula: C15H22ClNO3
Molecular Weight: 299.798
Synonyms: Carbamicacid, [(1S,2R)-3-chloro-2-hydroxy-1-(phenylmethyl)propyl]-, 1,1-dimethylethylester (9CI);Carbamic acid, [3-chloro-2-hydroxy-1-(phenylmethyl)propyl]-,1,1-dimethylethyl ester, [R-(R*,S*)]-;(2R,3S)-3-(tert-Butoxycarbonylamino)-1-chloro-2-hydroxy-4-phenylbutane;(2R,3S)-N-tert-Butoxycarbonyl-3-amino-1-chloro-2-hydroxy-4-phenylbutane;
EINECS: 923-366-1
Density: 1.154 g/cm3
Melting Point: 83-84℃
Boiling Point: 460.456 °C at 760 mmHg
Flash Point: 232.276 °C
PSA: 58.56000
LogP: 3.11300
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    Address:No.25 Binlang Road,Siming, Xiamen, China

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Specification

The Carbamicacid, N-[(1S,2R)-3-chloro-2-hydroxy-1-(phenylmethyl)propyl]-, 1,1-dimethylethylester, with CAS registry number 162536-40-5, has the systematic name of tert-butyl [(1S,2R)-1-benzyl-3-chloro-2-hydroxypropyl]carbamate. And the chemical formula of this chemical is C15H22ClNO3.

Physical properties of Carbamicacid, N-[(1S,2R)-3-chloro-2-hydroxy-1-(phenylmethyl)propyl]-, 1,1-dimethylethylester: (1)ACD/LogP: 2.25; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 8; (6)Polar Surface Area: 58.56 Å2; (7)Index of Refraction: 1.527; (8)Molar Refractivity: 79.869 cm3; (9)Molar Volume: 259.788 cm3; (10)Polarizability: 31.663×10-24cm3; (11)Surface Tension: 41.68 dyne/cm; (12)Density: 1.154 g/cm3; (13)Flash Point: 232.276 °C; (14)Enthalpy of Vaporization: 75.983 kJ/mol; (15)Boiling Point: 460.456 °C at 760 mmHg; (16)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: ClC[C@H](O)[C@@H](NC(=O)OC(C)(C)C)Cc1ccccc1
(2)InChI: InChI=1/C15H22ClNO3/c1-15(2,3)20-14(19)17-12(13(18)10-16)9-11-7-5-4-6-8-11/h4-8,12-13,18H,9-10H2,1-3H3,(H,17,19)/t12-,13-/m0/s1
(3)InChIKey: GFGQSTIUFXHAJS-STQMWFEEBU
(4)Std. InChI: InChI=1S/C15H22ClNO3/c1-15(2,3)20-14(19)17-12(13(18)10-16)9-11-7-5-4-6-8-11/h4-8,12-13,18H,9-10H2,1-3H3,(H,17,19)/t12-,13-/m0/s1
(5)Std. InChIKey: GFGQSTIUFXHAJS-STQMWFEESA-N