tert-Butyl (2-Iodoethyl)carbamate - CAS 122234-46-2

Name: tert-Butyl (2-Iodoethyl)carbamate
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB070893
Product Name:	tert-Butyl (2-Iodoethyl)carbamate
CAS:	122234-46-2
Synonyms:	tert-butyl (2-iodoethyl)carbamate; tert-butyl N-(2-iodoethyl)carbamate; TERT-BUTYL 2-IODOETHYLCARBAMATE; tert-butyl(2-iodoethyl)carbamate; carbamic acid, (2-iodoethyl)-, 1,1-dimethylethyl ester; Carbamic acid, N-(2-iodoethyl)-, 1,1-dimethylethyl ester

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	tert-butyl N-(2-iodoethyl)carbamate
Molecular Weight:	271.1
Molecular Formula:	C7H14NO2I
Canonical SMILES:	CC(C)(C)OC(=O)NCCI
InChI:	InChI=1S/C7H14INO2/c1-7(2,3)11-6(10)9-5-4-8/h4-5H2,1-3H3,(H,9,10)
InChI Key:	AOEDOXQZANMVHL-UHFFFAOYSA-N

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	131
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	271.00693
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	271.00693
Rotatable Bond Count:	4
Topological Polar Surface Area:	38.3Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2