tert-Butyl N-(Propan-2-yl)carbamate - CAS 51170-55-9

Catalog:	BB057673
Product Name:	tert-Butyl N-(Propan-2-yl)carbamate
CAS:	51170-55-9
Synonyms:	tert-butyl N-(propan-2-yl)carbamate; Tert-butyl N-propan-2-ylcarbamate; TERT-BUTYL ISOPROPYLCARBAMATE; TERT-BUTYL N-ISOPROPYLCARBAMATE; isopropyl-carbamic acid tert-butyl ester; Carbamic acid, (1-methylethyl)-, 1,1-dimethylethyl ester

Technical Data

IUPAC Name:	tert-butyl N-propan-2-ylcarbamate
Description:	tert-Butyl N-(Propan-2-yl)carbamate is an intermediate in the synthesis of N-Ethyl-N-nitroso-2-propanamine (E932795), which is a building block used in synthesis of Amino Acids, Peptides, and Proteins.
Molecular Weight:	159.22
Molecular Formula:	C8H17NO2
Canonical SMILES:	CC(C)NC(=O)OC(C)(C)C
InChI:	InChI=1S/C8H17NO2/c1-6(2)9-7(10)11-8(3,4)5/h6H,1-5H3,(H,9,10)
InChI Key:	JRFZNGUHKPPRHG-UHFFFAOYSA-N
Melting Point:	73 - 74°C
Solubility:	Acetonitrile (Slightly, Heated), Chloroform (Slightly), DMSO (Slightly, Heated)
Appearance:	White to Off-White Solid
Storage:	4°C
References:	Piotrowska, K. et al. Synthetic Communications, 9, (1979).

Complexity:	136
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	159.125928785
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	159.125928785
Rotatable Bond Count:	3
Topological Polar Surface Area:	38.3Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.7