AG001AX1

139393-02-5 | L-Tryptophan, 5-cyano-

AG001AX1

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CAS Number	139393-02-5
Catalog Number	AG001AX1(AGN-PC-0O1SYB)
Chemical Name	L-Tryptophan, 5-cyano-
IUPAC Name	2-amino-3-(5-cyano-1H-indol-3-yl)propanoic acid
InChI	InChI=1S/C12H11N3O2/c13-5-7-1-2-11-9(3-7)8(6-15-11)4-10(14)12(16)17/h1-3,6,10,15H,4,14H2,(H,16,17)
InChI Key	RWUVZHFIVNNDBO-UHFFFAOYSA-N
MDL Number	MFCD02683928
Molecular Formula	C12H11N3O2
Molecular Weight	229.2346
SMILES	O=C(O)[C@@H](N)CC1=CNC2=C1C=C(C#N)C=C2
Synonyms	5-CYANO-DL-TRYPTOPHAN, 139393-02-5, C-8990, 2-Amino-3-(5-cyano-1H-indol-3-yl)propanoic acid, 2089602-82-2, 5-Cyanotryptophan, AK-59028, CTK4C1789, DTXSID00647373, 5836AH, AKOS022180973, (2S)-2-AMINO-3-(5-CYANO-1H-INDOL-3-YL)PROPANOIC ACID, C12H11N3O2, (S)-2-Amino-3-(5-cyano-1H-indol-3-yl)propanoic acid,

Complexity	349
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	229.085g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	229.239g/mol
Monoisotopic Mass	229.085g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	103A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	-1.1

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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