AG00294T

203854-56-2 | Pentanoic acid, 2-(aminomethyl)-4-methyl-, (2S)-

AG00294T

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CAS Number	203854-56-2
Catalog Number	AG00294T(AGN-PC-0O7CE0)
Chemical Name	Pentanoic acid, 2-(aminomethyl)-4-methyl-, (2S)-
IUPAC Name	(2S)-2-(aminomethyl)-4-methylpentanoic acid
InChI	InChI=1S/C7H15NO2/c1-5(2)3-6(4-8)7(9)10/h5-6H,3-4,8H2,1-2H3,(H,9,10)/t6-/m0/s1
InChI Key	IAXQYBCPMFDMOJ-LURJTMIESA-N
MDL Number	MFCD07372884
Molecular Formula	C7H15NO2
Molecular Weight	145.1995
SMILES	CC(C)C[C@@H](CN)C(O)=O
Synonyms	(S)-2-(Aminomethyl)-4-methylpentanoic acid, 203854-56-2, (2S)-2-(AMINOMETHYL)-4-METHYLPENTANOIC ACID, MFCD07372884, AK119214, DTXSID10716963, KS-00000R0Q, 0447AB, FCH855434, ZINC40710639, AKOS006286304, AB35730, DS-5569, AJ-103737, AX8244630, DB-032035, ST24035893, (2S)-2-(aminomethyl)-4-methyl-valeric acid, (2S)-2-(aminomethyl)-4-methyl-pentanoic acid, Pentanoic acid, 2-(aminomethyl)-4-methyl-, (2S)-, C7H15NO2, (S)-2-(Aminomethyl)-4-methylpentanoicacid, (R)-2-(Aminomethyl)-4-methylpentanoic acid, 210345-89-4,

Complexity	112
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	145.11g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	145.202g/mol
Monoisotopic Mass	145.11g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	63.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-1.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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