AG002KQ0

210345-86-1 | Butanoic acid, 2-(aminomethyl)-3-methyl-, (2R)-

AG002KQ0

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CAS Number	210345-86-1
Catalog Number	AG002KQ0(AGN-PC-0O7QSN)
Chemical Name	Butanoic acid, 2-(aminomethyl)-3-methyl-, (2R)-
IUPAC Name	(2R)-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-/m0/s1
InChI Key	UUQYMNPVPQLPID-YFKPBYRVSA-N
MDL Number	MFCD07372878
Molecular Formula	C6H13NO2
Molecular Weight	131.1729
SMILES	CC(C)[C@H](CN)C(O)=O
Synonyms	(R)-2-(Aminomethyl)-3-methylbutanoic acid, 210345-86-1, Butanoic acid, 2-(aminomethyl)-3-methyl-, (2R)-, (2R)-2-(AMINOMETHYL)-3-METHYLBUTANOIC ACID, (2S)-2-(AMINOMETHYL)-3-METHYLBUTANOIC ACID, AK119232, SCHEMBL4738598, CTK0J8102, DTXSID20452007, KS-00000R0U, FCH836677, MFCD07372878, ZINC34743468, AKOS006283521, AB35713, DS-5572, AJ-90037, (R)-2-(Aminomethyl)-3-methylbutyric acid, AX8244648, CS-0061014, ST24035256, (2S)-2-(aminomethyl)-3-methyl-butyric acid, (2S)-2-(aminomethyl)-3-methyl-butanoic Acid, (R)-2-AMINOMETHYL-3-METHYL-BUTYRIC ACID, (S)-2-(Aminomethyl)-3-methylbutanoic acid, 203854-54-0,

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

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