AG00ICK5

748128-33-8 | (R)-3-Amino-3-(3-methyl-phenyl)-propionic acid

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CAS Number	748128-33-8
Catalog Number	AG00ICK5(AGN-PC-0U61Z9)
Chemical Name	(R)-3-Amino-3-(3-methyl-phenyl)-propionic acid
IUPAC Name	(3R)-3-amino-3-(3-methylphenyl)propanoic acid
InChI	InChI=1S/C10H13NO2/c1-7-3-2-4-8(5-7)9(11)6-10(12)13/h2-5,9H,6,11H2,1H3,(H,12,13)/t9-/m1/s1
InChI Key	HMLYKNGYKKJNLC-SECBINFHSA-N
MDL Number	MFCD04113659
Molecular Formula	C10H13NO2
Molecular Weight	179.2157
SMILES	NC[C@@H](C1=CC=CC(C)=C1)C(O)=O
Synonyms	748128-33-8, (r)-3-(m-tolyl)-beta-alanine, (r)-3-amino-3-(3-methyl-phenyl)-propionic acid, (3R)-3-amino-3-(3-methylphenyl)propanoic acid, (R)-beta-(m-Tolyl)alanine, (R)-3-Amino-3-(m-tolyl)propanoic acid, (R)-3-AMINO-3-M-TOLYLPROPANOIC ACID, R-3-Amino-3-(3-methyl-phenyl)-propionic acid, (r)-3-amino-3-m-tolyl-propionic acid, Benzenepropanoic acid, b-amino-3-methyl-, (bR)-, AC1MC5NV, h-d-beta-phe(3-me)-oh, h-phg(3-me)-(c*ch2)oh, SCHEMBL3510648, CTK7I5279, DTXSID80375889, ZINC170075, (R)-beta-(3-Methylphenyl)alanine, ACT10178, ANW-47903, MFCD04113659, AKOS025212608, AB17753, CM-1104, AC-25392, AJ-17376, AS-38519, AB0049393, ST2402631, TC-136648, FT-0772643, TL80073882, (r)-3-amino-3-(3-methylphenyl)propionic acid, X-2776, (3R)-3-azanyl-3-(3-methylphenyl)propanoic acid, (r)-3-amino-3-(3-methyl-phenyl)-propanoic acid, A838231, benzenepropanoic acid, beta-amino-3-methyl-, (betar)-, (R)-3-amino-3-(3-methyl-phenyl)-propionic acid, AldrichCPR, Bionet2_001143, (R)-3-(m-Tolyl)-?-alanine, -3-AMINO-3- -PROPIONICACID, ACN-026124, CID2761751, (R)-3-Amino-3-(3-methylphenyl)-propionic acid,

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

GHS Hazard and Precautionary Statements

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

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