TERT-BUTYL N-(2-ISOTHIOCYANATOETHYL)CARBAMATE
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TERT-BUTYL N-(2-ISOTHIOCYANATOETHYL)CARBAMATE
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CAS No:
137743-46-5
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Formula:
C8H14N2O2S
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Chemical Name:
TERT-BUTYL N-(2-ISOTHIOCYANATOETHYL)CARBAMATE
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Synonyms:
2-tert-butyloxycarbonylaminoethyl isothiocyanate; N-Boc-2-isothiocyanatoethylamine; N-t-butoxycarbonyl-2-isothiocyanatoethylamine; BOC-2-ISOTHIOCYANATOETHYLAMINE;
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CAS No:
TERT-BUTYL N-(2-ISOTHIOCYANATOETHYL)CARBAMATE Basic Attributes
202.27400
202.07759887
DTXSID80400968
2930909090
Characteristics
82.78000
2.00480
1.08g/cm3
92-96ºC
321.1ºC at 760 mmHg
148ºC
1.503
0.000305mmHg at 25°C
Safety Information
R36/37/38; R42
S22; S26; S36
Xn
|Danger|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P285, P302+P352, P304+P340, P304+P341, P305+P351+P338, P312, P321, P332+P313, P337+P313, P342+P311, P362, P403+P233, P405, 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:202.28
XLogP3:2.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:202.07759887
Monoisotopic Mass:202.07759887
Topological Polar Surface Area:82.8
Heavy Atom Count:13
Complexity:217
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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