1,1-Dimethylethyl N-[(2S)-2-oxiranylmethyl]carbamate
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![1,1-Dimethylethyl N-[(2S)-2-oxiranylmethyl]carbamate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/eafa771f275044bfaa72717842a4e822.png "1,1-Dimethylethyl N-[(2S)-2-oxiranylmethyl]carbamate")
1,1-Dimethylethyl N-[(2S)-2-oxiranylmethyl]carbamate
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CAS No:
161513-47-9
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Formula:
C8H15NO3
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Chemical Name:
1,1-Dimethylethyl N-[(2S)-2-oxiranylmethyl]carbamate
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Synonyms:
Carbamic acid,N-[(2S)-2-oxiranylmethyl]-,1,1-dimethylethyl ester;Carbamic acid,(oxiranylmethyl)-,1,1-dimethylethyl ester,(S)-;Carbamic acid,[(2S)-oxiranylmethyl]-,1,1-dimethylethyl ester;1,1-Dimethylethyl N-[(2S)-2-oxiranylmethyl]carbamate;tert-Butyl (2S)-oxiranylmethylcarbamate;((2S)-Oxiranylmethyl)carbamic acid 1,1-dimethylethyl Ester;(S)-N-((Oxiran-2-yl)methyl)carbamate tert-butyl ester;(S)-tert-Butyl (oxiran-2-ylmethyl)carbamate
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CAS No:
1,1-Dimethylethyl N-[(2S)-2-oxiranylmethyl]carbamate Basic Attributes
173.21
173.21
605-257-8
2924199090
Characteristics
50.86000
1.30080
1.081±0.06 g/cm3
45-49 °C
262.9±13.0 °C(Predicted)
112.8ºC
1.462
0.011mmHg at 25°C
12.45±0.46
Safety Information
3
22
Xn
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P280, P301+P312, P305+P351+P338, P330, P337+P313, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:173.21
XLogP3:0.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:173.10519334
Monoisotopic Mass:173.10519334
Topological Polar Surface Area:50.9
Heavy Atom Count:12
Complexity:174
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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