AG000FC7

114857-00-0 | Carbamic acid, N-(1-methyl-2-oxoethyl)-, 1,1-dimethylethyl ester

AG000FC7

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CAS Number	114857-00-0
Catalog Number	AG000FC7(AGN-PC-0JSNXJ)
Chemical Name	Carbamic acid, N-(1-methyl-2-oxoethyl)-, 1,1-dimethylethyl ester
IUPAC Name	tert-butyl N-(1-oxopropan-2-yl)carbamate
InChI	InChI=1S/C8H15NO3/c1-6(5-10)9-7(11)12-8(2,3)4/h5-6H,1-4H3,(H,9,11)
InChI Key	OEQRZPWMXXJEKU-UHFFFAOYSA-N
MDL Number	MFCD12031700
Molecular Formula	C8H15NO3
Molecular Weight	173.2096
SMILES	CC(NC(=O)OC(C)(C)C)C=O
Synonyms	tert-Butyl (1-oxopropan-2-yl)carbamate, 114857-00-0, (1-Methyl-2-oxoethyl)carbamic acid tert-butyl ester, N-Boc-aminopropanal, tert-butyl N-(1-oxopropan-2-yl)carbamate, OEQRZPWMXXJEKU-UHFFFAOYSA-N, Carbamic acid, (1-methyl-2-oxoethyl)-, 1,1-dimethylethyl ester, Carbamic acid, N-(1-methyl-2-oxoethyl)-, 1,1-dimethylethyl ester, N-Boc-amino-propanal, AC1LC0JU, AC1Q2BKS, ACMC-209u7j, (1-Methyl-2-oxo-ethyl)-carbamic acid tert-butyl ester, SCHEMBL963465, AMOT0155, CTK8B4392, KS-00000ORF, DTXSID20337966, 2-(tert-Butoxycarbonylamino)propanal, ANW-44897, MFCD12031700, tert-butyl 1-oxopropan-2-ylcarbamate, AKOS015920289, AM84925, MP-0677, TRA0045716, tert-Butyl 1-methyl-2-oxoethylcarbamate, AK-43381, AK-72858, AK127940, BR-43381, BR-72858, DA-15262, DS-15259, 2-(tert-butoxycarbonylamino)propionaldehyde, tert-Butyl 1-methyl-2-oxoethylcarbamate #, AB0026743, TC-133642, 4CH-007101, 4CH-010470, FT-0733188, Propanal, 2-[(tert.butyloxycarbonyl)amino]-, ST24025780, W8479, N-(1-methyl-2-oxo-ethyl)-carbamic acid tert-butyl ester, Boc-L-alaninal, Boc-Ala-Aldehyde, 6-Chloropyrimidin-4(3H)-one, C8H15NO3, (S)-tert-Butyl (1-oxopropan-2-yl)carbamate, 79069-50-4, CID545705, ZINC02516824, (R)-tert-Butyl (1-oxopropan-2-yl)carbamate, tert-butyl (R)-(1-oxopropan-2-yl)carbamate, tert-butyl N-[(2R)-1-oxopropan-2-yl]carbamate, tert-butyl N-[(2S)-1-oxopropan-2-yl]carbamate, 82353-56-8, Carbamic acid, (1-methyl-2-oxoethyl)-, 1,1-dimethylethyl ester (9CI),

Complexity	172
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	173.105g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	173.212g/mol
Monoisotopic Mass	173.105g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	55.4A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	0.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

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