AG00DI3S

54614-95-8 | (3-Oxo-butyl)-carbamic acid tert-butyl ester

AG00DI3S

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CAS Number	54614-95-8
Catalog Number	AG00DI3S(AGN-PC-0NHTJ2)
Chemical Name	(3-Oxo-butyl)-carbamic acid tert-butyl ester
IUPAC Name	tert-butyl N-(3-oxobutyl)carbamate
InChI	InChI=1S/C9H17NO3/c1-7(11)5-6-10-8(12)13-9(2,3)4/h5-6H2,1-4H3,(H,10,12)
InChI Key	KMENCUFZHDXKNM-UHFFFAOYSA-N
MDL Number	MFCD14539579
Molecular Formula	C9H17NO3
Molecular Weight	187.2362
SMILES	CC(CCNC(OC(C)(C)C)=O)=O
Synonyms	54614-95-8, tert-butyl (3-oxobutyl)carbamate, N-BOC-4-AMINO-2-BUTANONE, tert-butyl N-(3-oxobutyl)carbamate, (3-Oxo-butyl)-carbamic acid tert-butyl ester, SCHEMBL4001822, t-butyl (3-oxobutyl)-carbamate, KMENCUFZHDXKNM-UHFFFAOYSA-N, MFCD14539579, ZINC36220449, AKOS022279261, AS-36718, 4-(tert-Butyloxycarbonylamino)butane-2-one, FT-0744492, X-1131, tert-butyl 3-oxobutylcarbamate,

Complexity	194
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	187.121g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	187.239g/mol
Monoisotopic Mass	187.121g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	55.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338-P302+P352
UN Code

Certificate of Analysis

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