AG00G4EX

82353-56-8 | Carbamic acid, [(1R)-1-methyl-2-oxoethyl]-, 1,1-dimethylethyl ester (9CI)

AG00G4EX

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CAS Number	82353-56-8
Catalog Number	AG00G4EX(AGN-PC-0OIOI7)
Chemical Name	Carbamic acid, [(1R)-1-methyl-2-oxoethyl]-, 1,1-dimethylethyl ester (9CI)
IUPAC Name	tert-butyl N-[(2R)-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)/t6-/m1/s1
InChI Key	OEQRZPWMXXJEKU-ZCFIWIBFSA-N
MDL Number	MFCD26142927
Molecular Formula	C8H15NO3
Molecular Weight	173.2096
SMILES	O=C(OC(C)(C)C)N[C@H](C)C=O
Synonyms	82353-56-8, (R)-tert-Butyl (1-oxopropan-2-yl)carbamate, N-Boc-D-alaninal, (R)-(1-methyl-2-oxo-ethyl)-carbamic acid tert-butyl ester, N-Boc-2(R)-2-aminopropanal, tert-butyl (R)-(1-oxopropan-2-yl)carbamate, tert-butyl N-[(2R)-1-oxopropan-2-yl]carbamate, (R)-tert-butyl 1-oxopropan-2-ylcarbamate, MFCD00801171, Boc-D-Ala-CHO, SCHEMBL2058674, DTXSID40448003, OEQRZPWMXXJEKU-ZCFIWIBFSA-N, KS-00000RC4, 9055AH, MFCD00274183, N-(tert-butyloxycarbonyl)-D-alaninal, ZINC39094342, AKOS016844217, Carbamic acid, [(1R)-1-methyl-2-oxoethyl]-, 1,1-dimethylethyl ester (9CI), TS-7034, (R)-2-(tert-Butoxycarbonylamino)propanal, AJ-98337, CJ-19765, SC-47735, Boc-D-Ala-PAM resin (100-200 mesh), J1227, 2-(r)-[n-(tert-butoxycarbonyl)amino]propanal, tert-butyl [(2R)-1-oxopropan-2-yl]carbamate, Z-5488, (R)-(1-Methyl-2-oxo-ethyl)-carbamic acid tert-buty, ((R)-1-methyl-2-oxo-ethyl)-carbamic acid tert-butyl ester, Boc-D-Ala-Merrifield Resin (100-200 mesh, > 0.5 mmol/g), Carbamic acid, [(1R)-1-methyl-2-oxoethyl]-, 1,1-dimethylethyl ester, Boc-Ala-Aldehyde, C8H15NO3, ZINC02516824, ACN-044669, CID10910049, 79069-50-4,

Complexity	172
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
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	0
Undefined Bond Stereocenter Count	0
XLogP3	0.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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