AG00CISJ

42116-55-2 | Methyl 3-([(tert-butoxy)carbonyl]amino)propanoate

AG00CISJ

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CAS Number	42116-55-2
Catalog Number	AG00CISJ(AGN-PC-0WAKYY)
Chemical Name	Methyl 3-([(tert-butoxy)carbonyl]amino)propanoate
IUPAC Name	methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
InChI	InChI=1S/C9H17NO4/c1-9(2,3)14-8(12)10-6-5-7(11)13-4/h5-6H2,1-4H3,(H,10,12)
InChI Key	GUYURTCMYDHGKH-UHFFFAOYSA-N
MDL Number	MFCD12198407
Molecular Formula	C9H17NO4
Molecular Weight	203.2356
SMILES	O=C(OC)CCNC(OC(C)(C)C)=O
Synonyms	42116-55-2, Methyl 3-((tert-butoxycarbonyl)amino)propanoate, N-Boc-beta-Alanine-methyl ester, methyl 3-{[(tert-butoxy)carbonyl]amino}propanoate, Methyl 3-([(tert-butoxy)carbonyl]amino)propanoate, Methyl 3-(tert-butoxycarbonylaMino)propanoate, SCHEMBL1256643, Methyl 3-(Boc-amino)propanoate, DTXSID80470606, Methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate, GUYURTCMYDHGKH-UHFFFAOYSA-N, 5805AB, MFCD12198407, ZINC38246965, AKOS009019070, DS-6235, MCULE-7027316799, NE31729, AJ-94783, AK120639, methyl 3-t-butyloxycarbonylamino-propionate, methyl3-tert-butoxycarbonylamino-propionate, methyl 3-tert-butoxycarbonylamino-propionate, FT-0709538, N-(t-butyloxycarbonyl)-beta-alanine methyl ester, N-(tert-Butoxycarbonyl)-beta-alanine methyl ester, Z98579239, beta-Alanine, N-[(1,1-dimethylethoxy)carbonyl]-, methyl ester, C9H17NO4, CID11687095, Methyl3-((tert-butoxycarbonyl)amino)propanoate,

Complexity	207
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	203.116g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	203.238g/mol
Monoisotopic Mass	203.116g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	64.6A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	0.8

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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