CAS No.167938-56-9,N-BOC-(S)-1-AMINO-2-PROPANOL Suppliers

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Basic Information

Molecular Structure:
CAS No.:	167938-56-9
Name:	N-BOC-(S)-1-AMINO-2-PROPANOL

Formula:	C₈H₁₇NO₃
Molecular Weight:	175.228
Synonyms:	Carbamicacid, (2-hydroxypropyl)-, 1,1-dimethylethyl ester, (S)-;Carbamic acid,[(2S)-2-hydroxypropyl]-, 1,1-dimethylethyl ester (9CI);tert-Butyl((2S)-2-hydroxypropyl)carbamate;((S)-2-Hydroxypropyl)carbamic acid tert-butyl ester;(S)-1-(tert-Butoxycarbonylamino)-2-propanol;
Density:	1.026g/cm³
Boiling Point:	276.441 °C at 760 mmHg
Flash Point:	120.988 °C
PSA:	58.56000
LogP:	1.28280

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Specification

The Carbamic acid,N-[(2S)-2-hydroxypropyl]-, 1,1-dimethylethyl ester, with CAS registry number 167938-56-9, belongs to the following product category: N-BOC. It has the systematic name of tert-butyl [(2S)-2-hydroxypropyl]carbamate. Besides this, it is also called N-Boc-(s)-1-amino-2-propanol. And the chemical formula of this chemical is C₈H₁₇NO₃.

Physical properties of Carbamic acid,N-[(2S)-2-hydroxypropyl]-, 1,1-dimethylethyl ester: (1)ACD/LogP: 0.69; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 3; (6)ACD/BCF (pH 7.4): 3; (7)ACD/KOC (pH 5.5): 68; (8)ACD/KOC (pH 7.4): 68; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 58.56 Å²; (13)Index of Refraction: 1.45; (14)Molar Refractivity: 45.941 cm³; (15)Molar Volume: 170.819 cm³; (16)Polarizability: 18.212×10^-24cm³; (17)Surface Tension: 33.95 dyne/cm; (18)Density: 1.026 g/cm³; (19)Flash Point: 120.988 °C; (20)Enthalpy of Vaporization: 59.778 kJ/mol; (21)Boiling Point: 276.441 °C at 760 mmHg; (22)Vapour Pressure: 0.001 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC(C)(C)C)NC[C@@H](O)C
(2)InChI: InChI=1/C8H17NO3/c1-6(10)5-9-7(11)12-8(2,3)4/h6,10H,5H2,1-4H3,(H,9,11)/t6-/m0/s1
(3)InChIKey: YNJCFDAODGKHAV-LURJTMIEBJ
(4)Std. InChI: InChI=1S/C8H17NO3/c1-6(10)5-9-7(11)12-8(2,3)4/h6,10H,5H2,1-4H3,(H,9,11)/t6-/m0/s1
(5)Std. InChIKey: YNJCFDAODGKHAV-LURJTMIESA-N