AG0027DW

183182-07-2 | Benzenepropanoic acid, α-(aminomethyl)-, (αR)-

AG0027DW

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CAS Number	183182-07-2
Catalog Number	AG0027DW(AGN-PC-0QCEZK)
Chemical Name	Benzenepropanoic acid, α-(aminomethyl)-, (αR)-
IUPAC Name	(2R)-2-(aminomethyl)-3-phenylpropanoic acid
InChI	InChI=1S/C10H13NO2/c11-7-9(10(12)13)6-8-4-2-1-3-5-8/h1-5,9H,6-7,11H2,(H,12,13)/t9-/m1/s1
InChI Key	DJYVEBBGKNAHKE-SECBINFHSA-N
MDL Number	MFCD07372494
Molecular Formula	C10H13NO2
Molecular Weight	179.2157
SMILES	O=C(O)[C@H](CC1=CC=CC=C1)CN
Synonyms	(R)-3-Amino-2-benzylpropanoic acid, 183182-07-2, (R)-2-AMINOMETHYL-3-PHENYL-PROPIONIC ACID, (2R)-3-AMINO-2-BENZYLPROPANOIC ACID, AK100966, (2R)-2-(aminomethyl)-3-phenylpropanoic acid, SCHEMBL4738634, CTK8C4832, DTXSID70446774, ZINC1715578, (R)-2-Benzyl-3-aminopropionic acid, ANW-73304, MFCD07372494, AKOS016843491, AB34725, DS-3658, AJ-30851, AX8241980, TC-162049, J1268, ST24035443, (2R)-2-(aminomethyl)-3-phenyl-propanoic acid, (2R)-2-(aminomethyl)-3-phenyl-propionic acid, Benzenepropanoic acid, alpha-(aminomethyl)-, (alphaR)-, (R)-3-amino-2-benzylpropanoicacid, (S)-3-Amino-2-benzylpropanoic acid, NSC127007, ACN-026035, CID10877716, 131683-27-7,

Complexity	164
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	179.095g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	179.219g/mol
Monoisotopic Mass	179.095g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	63.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-1.5

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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