AG00HT46

13398-26-0 | Benzeneacetic acid, a-amino-a-methyl-, (aS)-

AG00HT46

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CAS Number	13398-26-0
Catalog Number	AG00HT46(AGN-PC-0PK6GX)
Chemical Name	Benzeneacetic acid, a-amino-a-methyl-, (aS)-
IUPAC Name	(2S)-2-amino-2-phenylpropanoic acid
InChI	InChI=1S/C9H11NO2/c1-9(10,8(11)12)7-5-3-2-4-6-7/h2-6H,10H2,1H3,(H,11,12)/t9-/m0/s1
InChI Key	HTCSFFGLRQDZDE-VIFPVBQESA-N
MDL Number	MFCD07371947
Molecular Formula	C9H11NO2
Molecular Weight	165.1891
SMILES	OC(=O)[C@](c1ccccc1)(N)C
Synonyms	13398-26-0, (2S)-2-amino-2-phenylpropanoic acid, (S)-2-amino-2-phenylpropanoic acid, (S)-2-AMINO-2-PHENYL-PROPIONIC ACID, Benzeneacetic acid, a-amino-a-methyl-, (aS)-, (S)-ALPHA-METHYL-PHENYLGLYCINE, 2-phenyl-d-alanine, 2-(s)-phenylalanine, AC1LGXHO, (2S)-2-AMINO-2-PHENYLPROPANOICACID, (+)-2-Phenyl-D-alanine, SCHEMBL222049, CHEMBL3085306, CTK4B8907, (S)-2-Methyl-2-phenyl glycine, HTCSFFGLRQDZDE-VIFPVBQESA-N, KS-00001G1D, ZINC8461952, MFCD07371947, AKOS006287023, AB33354, AJ-57568, SC-84682, (+)-(2S)-2-amino-2-phenylpropionic acid, FT-0695117, I14-38783, 2-Aminohydratropic acid, CID853461, (R)-ALPHA-METHYL-PHENYLGLYCINE, (S)-2-AMINO-2-PHENYLPROPANOIC ACID HCL, 29738-09-8,

Complexity	175
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	165.079g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	165.192g/mol
Monoisotopic Mass	165.079g/mol
Rotatable Bond Count	2
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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