AG00IIOD

94994-39-5 | 4-([(tert-Butoxy)carbonyl](methyl)amino)butanoic acid

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CAS Number	94994-39-5
Catalog Number	AG00IIOD(AGN-PC-03DZ96)
Chemical Name	4-([(tert-Butoxy)carbonyl](methyl)amino)butanoic acid
IUPAC Name	4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoic acid
InChI	InChI=1S/C10H19NO4/c1-10(2,3)15-9(14)11(4)7-5-6-8(12)13/h5-7H2,1-4H3,(H,12,13)
InChI Key	PXAKQDWAISFHCM-UHFFFAOYSA-N
MDL Number	MFCD09831984
Molecular Formula	C10H19NO4
Molecular Weight	217.2622
SMILES	C(C)(C)(C)OC(=O)N(CCCC(=O)O)C
Synonyms	94994-39-5, 4-((tert-Butoxycarbonyl)(methyl)amino)butanoic acid, 4-{[(tert-butoxy)carbonyl](methyl)amino}butanoic acid, Boc-N-methyl-gamma-aminobutyric acid, 4-(tert-butoxycarbonyl-methyl-amino)-butyric acid, 4-[(tert-butoxycarbonyl)(methyl)amino]butanoic acid, 4-([(tert-Butoxy)carbonyl](methyl)amino)butanoic acid, 4-[{[(1,1-Dimethylethyl)oxy]carbonyl}(methyl)amino)butanoic acid, 4-[{[(1,1-dimethylethyl)oxy]carbonyl}(methyl)amino]butanoic acid, AC1Q3XGK, Boc-N-Me-Abu(4)-OH, SCHEMBL693386, TMA010, CTK6H9228, PXAKQDWAISFHCM-UHFFFAOYSA-N, 4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoic Acid, MFCD09831984, ZINC36379545, 4-((Boc)(methyl)amino)butanoic acid, AKOS008126011, CS-W005842, MCULE-8853447842, NE14520, SB01007, AJ-92720, AK144521, AS-19947, ST2405297, 4CH-016967, Z1979, EN300-49664, 4-((tert-butoxycarbonyl)(methyl)amino)butanoicacid, 656B419, 4-(N-t-butyloxycarbonyl-N-methylamino)butanoic acid, 4-(N-tert-butoxycarbonyl-N-methylamino)butyric acid, F8880-8286, Z1245633328, C10H19NO4, CID10656390, 5-hydroxymethylisoxazole-3-carboxylic acid ethyl ester, Butanoic acid, 4-[[(1,1-dimethylethoxy)carbonyl]methylamino]-,

Complexity	232
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	6
Topological Polar Surface Area	66.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P305+P351+P338
UN Code	UN 2811

Certificate of Analysis

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