CAS No.144163-85-9,[(1S,3S,4S)-4-Amino-3-hydroxy-5-phenyl-1-(phenylmethyl)pentyl]-carbamic acid 1,1-dimethylethyl ester Suppliers

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Basic Information

Molecular Structure:
CAS No.:	144163-85-9
Name:	[(1S,3S,4S)-4-Amino-3-hydroxy-5-phenyl-1-(phenylmethyl)pentyl]-carbamic acid 1,1-dimethylethyl ester
Article Data:	11

Formula:	C₂₃H₃₂N₂O₃
Molecular Weight:	384.519
Synonyms:	Carbamicacid, [(1S,3S,4S)-4-amino-3-hydroxy-5-phenyl-1-(phenylmethyl)pentyl]-,1,1-dimethylethyl ester (9CI);N-[(1S,3S,4S)-1-Benzyl-3-hydroxy-5-phenyl-4-aminopentyl]carbamic acidtert-butyl ester;tert-Butyl(2S,4S,5S)-N-(4-amino-1-benzyl-3-hydroxy-5-phenylpentyl)carbamate;
EINECS:	685-103-4
Density:	1.111 g/cm³
Melting Point:	71-74°C
Boiling Point:	569.182 °C at 760 mmHg
Flash Point:	298.03 °C
Appearance:	Powder
Hazard Symbols:	Xn
Risk Codes:	22
PSA:	84.58000
LogP:	4.53460

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Specification

The Carbamic acid,N-[(1S,3S,4S)-4-amino-3-hydroxy-5-phenyl-1-(phenylmethyl)pentyl]-,1,1-dimethylethyl ester, with the CAS number 144163-85-9, is also called N-[(1S,3S,4S)-1-Benzyl-3-hydroxy-5-phenyl-4-aminopentyl]carbamic acidtert-butyl ester. The systematic name is tert-butyl [(2S,4S,5S)-5-amino-4-hydroxy-1,6-diphenylhexan-2-yl]carbamate. Its molecular formula is C₂₃H₃₂N₂O₃.

The properties of the Carbamic acid,N-[(1S,3S,4S)-4-amino-3-hydroxy-5-phenyl-1-(phenylmethyl)pentyl]-,1,1-dimethylethyl ester are: (1)ACD/LogP: 3.04; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 5; (7)ACD/KOC (pH 5.5): 5; (8)ACD/KOC (pH 7.4): 23; (9)#H bond acceptors: 5; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 12; (12)Polar Surface Area: 84.58Å²; (13)Index of Refraction: 1.562; (14)Molar Refractivity: 112.267 cm³; (15)Molar Volume: 346.173 cm³; (16)Polarizability: 44.506×10^-24cm³; (17)Surface Tension: 45.642 dyne/cm; (18)Enthalpy of Vaporization: 89.844 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC(C)(C)C)N[C@@H](Cc1ccccc1)C[C@H](O)[C@@H](N)Cc2ccccc2
(2)InChI: InChI=1/C23H32N2O3/c1-23(2,3)28-22(27)25-19(14-17-10-6-4-7-11-17)16-21(26)20(24)15-18-12-8-5-9-13-18/h4-13,19-21,26H,14-16,24H2,1-3H3,(H,25,27)/t19-,20-,21-/m0/s1
(3)InChIKey: UKFHOTNATOJBKZ-ACRUOGEOBB