AG002BXP

19914-36-4 | D-Alanine, N-acetyl-, methyl ester

AG002BXP

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CAS Number	19914-36-4
Catalog Number	AG002BXP(AGN-PC-0O6VXT)
Chemical Name	D-Alanine, N-acetyl-, methyl ester
IUPAC Name	methyl (2R)-2-acetamidopropanoate
InChI	InChI=1S/C6H11NO3/c1-4(6(9)10-3)7-5(2)8/h4H,1-3H3,(H,7,8)/t4-/m1/s1
InChI Key	FQGVVDYNRHNTCK-SCSAIBSYSA-N
MDL Number	MFCD00080822
Molecular Formula	C6H11NO3
Molecular Weight	145.1564
SMILES	C[C@@H](NC(C)=O)C(OC)=O
Synonyms	(R)-Methyl 2-acetamidopropanoate, 19914-36-4, Ac-d-ala-ome, Acetyl-D-alanine methyl ester, methyl (2R)-2-acetamidopropanoate, AC1OCUYG, N-Acetyl-D-alanine methyl, SCHEMBL1884920, CTK8B8585, KS-00000FKQ, DTXSID20426223, (R)-N-acetylalanine methyl ester, FQGVVDYNRHNTCK-SCSAIBSYSA-N, ZINC402100, N-ACETYL-ALANINE METHYLESTER, 0238AB, ANW-60750, D-Alanine, N-acetyl-, methyl ester, MFCD00080822, N-alpha-Acetyl-D-alanine methyl ester, AJ-21827, CJ-03761, DS-15980, ZB012874, ST2414493, TC-149495, FT-0693702, (R)-2-Acetylamino-propionic acid methyl ester, K-5824, J-012869, C6H11NO3, ZINC00402100, CID6951031,

Complexity	144
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	145.074g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	145.158g/mol
Monoisotopic Mass	145.074g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	55.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.6

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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