CAS No.128427-10-1,(S)-(-)-2-(Boc-Amino)-1,4-butanediol Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	128427-10-1
Name:	(S)-(-)-2-(Boc-Amino)-1,4-butanediol
Article Data:	26

Formula:	C₉H₁₉NO₄
Molecular Weight:	205.254
Synonyms:	Carbamic acid,[(1S)-3-hydroxy-1-(hydroxymethyl)propyl]-, 1,1-dimethylethyl ester (9CI);Carbamic acid, [3-hydroxy-1-(hydroxymethyl)propyl]-, 1,1-dimethylethyl ester,(S)-;
Density:	1.11 g/cm³
Melting Point:	65-69 °C(lit.)
Boiling Point:	365 °C at 760 mmHg
Flash Point:	174.6 °C
Appearance:	white crystalline powder
Safety:	24/25
PSA:	78.79000
LogP:	0.64530

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Specification

The (S)-(-)-2-(Boc-Amino)-1,4-butanediol, with CAS registry number 128427-10-1, belongs to the following product categories: (1)N-BOC; (2)API Intermediates; (3)Amino Alcohols; (4)Chiral Building Blocks; (5)Organic Building Blocks. It has the systematic name of tert-butyl [(1S)-3-hydroxy-1-(hydroxymethyl)propyl]carbamate. And this chemical is a kind of white crystalline powder.

Physical properties of (S)-(-)-2-(Boc-Amino)-1,4-butanediol: (1)ACD/LogP: 0.00; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): 0; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 23.85; (8)ACD/KOC (pH 7.4): 23.85; (9)#H bond acceptors: 5; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 48 Å²; (13)Index of Refraction: 1.475; (14)Molar Refractivity: 52.1 cm³; (15)Molar Volume: 184.8 cm³; (16)Polarizability: 20.65×10^-24cm³; (17)Surface Tension: 41.4 dyne/cm; (18)Enthalpy of Vaporization: 70.75 kJ/mol; (19)Vapour Pressure: 8.28E-07 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](CCO)CO
(2)InChI: InChI=1/C9H19NO4/c1-9(2,3)14-8(13)10-7(6-12)4-5-11/h7,11-12H,4-6H2,1-3H3,(H,10,13)/t7-/m0/s1
(3)InChIKey: KLRRFBSWOIUAHZ-ZETCQYMHBA
(4)Std. InChI: InChI=1S/C9H19NO4/c1-9(2,3)14-8(13)10-7(6-12)4-5-11/h7,11-12H,4-6H2,1-3H3,(H,10,13)/t7-/m0/s1
(5)Std. InChIKey: KLRRFBSWOIUAHZ-ZETCQYMHSA-N