AG00H3C6

85909-04-2 | Methyl 4-(tert-butoxycarbonylamino)butanoate

AG00H3C6

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CAS Number	85909-04-2
Catalog Number	AG00H3C6(AGN-PC-00KY4J)
Chemical Name	Methyl 4-(tert-butoxycarbonylamino)butanoate
IUPAC Name	methyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
InChI	InChI=1S/C10H19NO4/c1-10(2,3)15-9(13)11-7-5-6-8(12)14-4/h5-7H2,1-4H3,(H,11,13)
InChI Key	WOSTYWSKGONZPI-UHFFFAOYSA-N
MDL Number	MFCD18206247
Molecular Formula	C10H19NO4
Molecular Weight	217.2622
SMILES	O=C(OC)CCCNC(OC(C)(C)C)=O
Synonyms	85909-04-2, Methyl 4-((tert-butoxycarbonyl)amino)butanoate, methyl 4-(tert-butoxycarbonylamino)butanoate, Methyl 4-(tert-butoxycarbonylamino) butanoate, Butanoic acid, 4-[[(1,1-dimethylethoxy)carbonyl]amino]-, methyl ester, SCHEMBL3422201, WOSTYWSKGONZPI-UHFFFAOYSA-N, KS-00000TH7, 4-[[(1,1-dimethylethoxy)carbonyl]amino]Butanoic acid methyl ester, MFCD18206247, ZINC72766280, AKOS009021950, NE38983, AK206224, DS-10116, FT-0712457, methyl 4-(tert-butoxycarbonylamino)-butanoate, methyl 4-{[(tert-butoxy)carbonyl]amino}butanoate, 4-(tert-Butoxycarbonylamino)butyric acid methyl ester, methyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate,

Complexity	220
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	217.131g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	217.265g/mol
Monoisotopic Mass	217.131g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	64.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.1

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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