AG000FGT

114926-37-3 | L-Phenylalanine, 3-methyl-

AG000FGT

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CAS Number	114926-37-3
Catalog Number	AG000FGT(AGN-PC-0NYLC5)
Chemical Name	L-Phenylalanine, 3-methyl-
IUPAC Name	(2S)-2-amino-3-(3-methylphenyl)propanoic acid
InChI	InChI=1S/C10H13NO2/c1-7-3-2-4-8(5-7)6-9(11)10(12)13/h2-5,9H,6,11H2,1H3,(H,12,13)/t9-/m0/s1
InChI Key	JZRBSTONIYRNRI-VIFPVBQESA-N
MDL Number	MFCD00044972
Molecular Formula	C10H13NO2
Molecular Weight	179.2157
SMILES	N[C@@H](CC1=CC=CC(C)=C1)C(O)=O
Synonyms	3-Methyl-L-phenylalanine, 114926-37-3, L-3-Methylphenylalanine, (S)-2-Amino-3-(m-tolyl)propanoic acid, 3-METHYLPHENYLALANINE, 3-Methy-L-Phenylalanine, Phenylalanine, 3-methyl-, (2S)-2-amino-3-(3-methylphenyl)propanoic acid, MFCD00044972, (S)-2-amino-3-m-tolylpropanoic acid, m-Methylphenylalanin, b-(m-tolyl)alanine, 3-?Methylphenylalanine, PubChem18698, L-3-METHYLPHE, (S)-3-methylphenylalanine, AC1MC52V, L-3-ME-PHE-OH, L-Phenylalanine, 3-methyl-, SCHEMBL42907, DL-3-METHYLPHENYLALANINE, CHEMBL1231013, CTK4F0302, KS-00000IOT, JZRBSTONIYRNRI-VIFPVBQESA-N, 2283-42-3, BCP11706, ZINC1652106, ANW-58077, AKOS012010391, AKOS015842500, AB02005, AC-9921, AL076-1, AM83418, DB02685, AJ-28818, AS-12892, M241, SC-10859, TC-020919, TC-146822, TL8000442, FT-0600326, ST24042332, Z3666, 926M373, I01-8300, J-003159, (S)-2-AMINO-3-(3-METHYLPHENYL)PROPIONIC ACID, 3-Methylphenyl-L-alanine, D-3-Methylphenylalanine, 3-Me-L-Phenylalanine, DL-beta-(m-Tolyl)alanine, (s)-beta-(m-tolyl)alanine, C10H13NO2, NSC14793, ACN-026165, CID2761494, 5472-70-8, 114926-39-5, APD,

Complexity	182
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	3
Topological Polar Surface Area	63.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-1.2

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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