AG004DBX

885518-39-8 | 4-Amino-6-cyanoindole

AG004DBX

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CAS Number	885518-39-8
Catalog Number	AG004DBX(AGN-PC-04Q55F)
Chemical Name	4-Amino-6-cyanoindole
IUPAC Name	4-amino-1H-indole-6-carbonitrile
InChI	InChI=1S/C9H7N3/c10-5-6-3-8(11)7-1-2-12-9(7)4-6/h1-4,12H,11H2
InChI Key	ALWCMYAKSPSBAN-UHFFFAOYSA-N
MDL Number	MFCD07357293
Molecular Formula	C9H7N3
Molecular Weight	157.1720
SMILES	N#CC1=CC2=C(C(N)=C1)C=CN2
Synonyms	4-Amino-1H-indole-6-carbonitrile, 885518-39-8, 4-Amino-6-cyanoindole, AK119707, CTK5G0733, DTXSID40646128, 1H-Indole-6-carbonitrile,4-amino-, 4288AC, CA-289, FCH854895, MFCD07357293, ZINC14982934, AKOS006284064, DS-5728, SB15269, AJ-65760, QC-10617, AX8245123, DB-077889, ST2418068, 4CH-003455, FT-0729631, W-3183, C9H7N3, 1H-Indole-6-carbonitrile, 4-amino- (9CI),

Complexity	217
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	157.064g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	157.176g/mol
Monoisotopic Mass	157.064g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	65.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.1

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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