CAS No.161513-47-9,(S)-1-(TERT-BUTOXYCARBONYL)-2,3-OXIRANYLMETHYLAMINE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	161513-47-9
Name:	(S)-1-(TERT-BUTOXYCARBONYL)-2,3-OXIRANYLMETHYLAMINE
Article Data:	8

Formula:	C₈H₁₅NO₃
Molecular Weight:	173.212
Synonyms:	Carbamicacid, (oxiranylmethyl)-, 1,1-dimethylethyl ester, (S)-;Carbamic acid,[(2S)-oxiranylmethyl]-, 1,1-dimethylethyl ester (9CI);((2S)-Oxiranylmethyl)carbamic acid 1,1-dimethylethyl Ester;(S)-N-((Oxiran-2-yl)methyl)carbamate tert-butyl ester;tert-Butyl(2S)-oxiranylmethylcarbamate;
Density:	1.081 g/cm³
Melting Point:	48-50 °C
Boiling Point:	262.908 °C at 760 mmHg
Flash Point:	112.803 °C
Hazard Symbols:	Xn
Risk Codes:	22
PSA:	50.86000
LogP:	1.30080

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Specification

The Carbamic acid,N-[(2S)-2-oxiranylmethyl]-, 1,1-dimethylethyl ester is an organic compound with the formula C₈H₁₅NO₃. The systematic name of this chemical is Tert-butyl [(2R)-oxiran-2-ylmethyl]carbamate. With the CAS registry number 161513-47-9, it is also named as (S)-1-BOC-2,3-Oxiranylamine. Besides, its molecular weight is 173.21.

Physical properties about Carbamic acid,N-[(2S)-2-oxiranylmethyl]-, 1,1-dimethylethyl ester are: (1)ACD/LogP: 0.67; (2)ACD/LogD (pH 5.5): 1; (3)ACD/LogD (pH 7.4): 1; (4)ACD/BCF (pH 5.5): 5; (5)ACD/BCF (pH 7.4): 5; (6)ACD/KOC (pH 5.5): 102; (7)ACD/KOC (pH 7.4): 102; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 50.86 Å²; (12)Index of Refraction: 1.462; (13)Molar Refractivity: 44.022 cm³; (14)Molar Volume: 160.228 cm³; (15)Polarizability: 17.452×10^-24 cm³; (16)Surface Tension: 37.213 dyne/cm; (17)Density: 1.081 g/cm³; (18)Flash Point: 112.803 °C; (19)Enthalpy of Vaporization: 50.071 kJ/mol; (20)Boiling Point: 262.908 °C at 760 mmHg; (21)Vapour Pressure: 0.011 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following:
It is harmful if swallowed.

You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C8H15NO3/c1-8(2,3)12-7(10)9-4-6-5-11-6/h6H,4-5H2,1-3H3,(H,9,10)/t6-/m1/s1
(2)InChIKey: ZBBGKXNNTNBRBH-ZCFIWIBFBC
(3)Std. InChI: InChI=1S/C8H15NO3/c1-8(2,3)12-7(10)9-4-6-5-11-6/h6H,4-5H2,1-3H3,(H,9,10)/t6-/m1/s1
(4)Std. InChIKey: ZBBGKXNNTNBRBH-ZCFIWIBFSA-N