tert-Butyl N-(2-Chloroethyl)-N-methylcarbamate - CAS 220074-38-4

Catalog:	BB070884
Product Name:	tert-Butyl N-(2-Chloroethyl)-N-methylcarbamate
CAS:	220074-38-4
Synonyms:	tert-butyl N-(2-chloroethyl)-N-methylcarbamate; tert-butyl (2-chloroethyl)(methyl)carbamate; (2-chloro-ethyl)-methyl-carbamic acid tert-butyl ester; tert-butyl 2-chloroethyl(methyl)carbamate

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	tert-butyl N-(2-chloroethyl)-N-methylcarbamate
Molecular Weight:	193.67
Molecular Formula:	C8H16NO2Cl
Canonical SMILES:	CC(C)(C)OC(=O)N(C)CCCl
InChI:	InChI=1S/C8H16ClNO2/c1-8(2,3)12-7(11)10(4)6-5-9/h5-6H2,1-4H3
InChI Key:	VQFOCOGVVYWWRJ-UHFFFAOYSA-N

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P354+P338, P317, P321, P330, P332+P317, P362+P364, and P501
Signal Word:	Danger

Complexity:	154
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	193.0869564
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	193.0869564
Rotatable Bond Count:	4
Topological Polar Surface Area:	29.5Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.7