AG00711T

21495-41-0 | Tryptophan, 2-methyl-

AG00711T

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CAS Number	21495-41-0
Catalog Number	AG00711T(AGN-PC-00KCYR)
Chemical Name	Tryptophan, 2-methyl-
IUPAC Name	2-amino-3-(2-methyl-1H-indol-3-yl)propanoic acid
InChI	InChI=1S/C12H14N2O2/c1-7-9(6-10(13)12(15)16)8-4-2-3-5-11(8)14-7/h2-5,10,14H,6,13H2,1H3,(H,15,16)
InChI Key	BXJSOEWOQDVGJW-UHFFFAOYSA-N
MDL Number	MFCD03005300
Molecular Formula	C12H14N2O2
Molecular Weight	218.2518
SMILES	NC(CC1=C(C)NC2=CC=CC=C12)C(O)=O
Synonyms	2-methyl-dl-tryptophan, 2-amino-3-(2-methyl-1H-indol-3-yl)propanoic acid, 21495-41-0, 2-Me-D-Trp-OH, M-4975, (S)-2-Amino-3-(2-methyl-1H-indol-3-yl)propanoic acid, 140852-06-8, AC1MI1KS, DL-Tryptophan, 2-methyl-, SCHEMBL2049320, CTK8H6076, 5090AH, MFCD03005300, AKOS022541916, AK688785, CS-0055913, (2S)-2-amino-3-(2-methyl-1H-indol-3-yl)propanoic acid, 2-Methyltryptophan, UNII-UQH08U4QVS, UQH08U4QVS, C12H14N2O2, CID3015659, 33468-32-5,

Complexity	270
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	218.106g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	218.256g/mol
Monoisotopic Mass	218.106g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	79.1A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	-0.7

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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