AG00EKJR

56857-47-7 | L-Alanine, N-(carboxymethyl)- (9CI)

AG00EKJR

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CAS Number	56857-47-7
Catalog Number	AG00EKJR(AGN-PC-0OCG61)
Chemical Name	L-Alanine, N-(carboxymethyl)- (9CI)
IUPAC Name	(2S)-2-(carboxymethylamino)propanoic acid
InChI	InChI=1S/C5H9NO4/c1-3(5(9)10)6-2-4(7)8/h3,6H,2H2,1H3,(H,7,8)(H,9,10)/t3-/m0/s1
InChI Key	XYUPSBLFPTWJLC-VKHMYHEASA-N
MDL Number	MFCD18829800
Molecular Formula	C5H9NO4
Molecular Weight	147.1293
SMILES	C[C@H](NCC(O)=O)C(O)=O
Synonyms	2-methyliminodiacetic acid, strombine, (S)-2-((Carboxymethyl)amino)propanoic acid, 56857-47-7, Strombine, L-Alanine, N-(carboxymethyl)-, AK146172, (2S)-2-(carboxymethylamino)propanoic acid, N-carboxymethylalanine, (carboxymethyl)-L-alanine, AC1L98PP, SCHEMBL2132525, CTK1H1713, ZINC3884275, FCH951624, MFCD18829800, AKOS006350538, DS-8474, KS-00000S49, AJ-47056, AX8283847, ST2402754, N-(carboxymethyl)--alanine, CID440119, L-Alanine, N-(carboxymethyl)- (9CI), C03790, 505-72-6,

Complexity	145
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	147.053g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	147.13g/mol
Monoisotopic Mass	147.053g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	86.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-2.9

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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