AG00294U

203854-54-0 | Butanoic acid, 2-(aminomethyl)-3-methyl-, (2S)-

AG00294U

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CAS Number	203854-54-0
Catalog Number	AG00294U(AGN-PC-0O7CDU)
Chemical Name	Butanoic acid, 2-(aminomethyl)-3-methyl-, (2S)-
IUPAC Name	(2S)-2-(aminomethyl)-3-methylbutanoic acid
InChI	InChI=1S/C6H13NO2/c1-4(2)5(3-7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t5-/m1/s1
InChI Key	UUQYMNPVPQLPID-RXMQYKEDSA-N
MDL Number	MFCD07372877
Molecular Formula	C6H13NO2
Molecular Weight	131.1729
SMILES	CC(C)[C@@H](CN)C(O)=O
Synonyms	(S)-2-(Aminomethyl)-3-methylbutanoic acid, 203854-54-0, Butanoic acid, 2-(aminomethyl)-3-methyl-, (2S)-, (2S)-2-(AMINOMETHYL)-3-METHYLBUTANOIC ACID, AK119228, (2R)-2-(AMINOMETHYL)-3-METHYLBUTANOIC ACID, AMOT0926, SCHEMBL16967373, KS-00000R0S, FCH836678, ZINC34743467, AB35710, DS-5571, AJ-90036, (S)-2-(Aminomethyl)-3-methylbutyric acid, AX8244644, ST24035891, (2R)-2-(aminomethyl)-3-methyl-butyric acid, (2R)-2-(aminomethyl)-3-methyl-butanoic acid, (S)-2-AMINOMETHYL-3-METHYL-BUTYRIC ACID, (R)-2-(Aminomethyl)-3-methylbutanoic acid, CID11018900, (2S)-2-(aminomethyl)-3-methyl-butanoic Acid, 210345-86-1,

Complexity	101
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	131.095g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	131.175g/mol
Monoisotopic Mass	131.095g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	63.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-2.1

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

Lot Number