AG00BH36

2812-31-9 | N(alpha),N(alpha)-Dimethylalanine

AG00BH36

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CAS Number	2812-31-9
Catalog Number	AG00BH36(AGN-PC-0O8JZQ)
Chemical Name	N(alpha),N(alpha)-Dimethylalanine
IUPAC Name	(2S)-2-(dimethylamino)propanoic acid
InChI	InChI=1S/C5H11NO2/c1-4(5(7)8)6(2)3/h4H,1-3H3,(H,7,8)/t4-/m0/s1
InChI Key	QCYOIFVBYZNUNW-BYPYZUCNSA-N
MDL Number	MFCD00154416
Molecular Formula	C5H11NO2
Molecular Weight	117.1463
SMILES	C[C@H](N(C)C)C(O)=O
Synonyms	N(alpha),N(alpha)-dimethylalanine, N,N-dimethylalanine, (S)-2-(Dimethylamino)propanoic acid, 2812-31-9, N,N-Dimethyl-L-Alanine, N,N-Dimethylalanine, N(alpha),N(alpha)-Dimethylalanine, (2S)-2-(dimethylamino)propanoic acid, Alanine, N,N-dimethyl-, L-Alanine, N,N-dimethyl-, dimethylalanine, dimethyl-L-alanine, N-dimethyl-L-alanine, AC1NUQBI, N,N-dimethyl-D-alanine hydrochloride, Alanine,N,N-dimethyl-, SCHEMBL50989, CHEBI:77042, CTK0A0365, DTXSID00182395, QCYOIFVBYZNUNW-BYPYZUCNSA-N, KS-00000RF5, ZINC4829414, MFCD00154416, DB02167, DS-6749, MCULE-1371350024, AJ-52425, FT-0696024, 16708-14-8, N ,N -Dimethylalanine, C5-H11-N-O2, CID5488191, 157431-09-9, 19701-89-4,

Complexity	90.4
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	117.079g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	117.148g/mol
Monoisotopic Mass	117.079g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	40.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-2

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H315-H319-H335
Precuationary statements	P261-P305+P351+P338
Siginal words

Certificate of Analysis

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