AG001RE7

159768-57-7 | 5-Amino-3-cyanoindole

AG001RE7

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CAS Number	159768-57-7
Catalog Number	AG001RE7(AGN-PC-041Z38)
Chemical Name	5-Amino-3-cyanoindole
IUPAC Name	5-amino-1H-indole-3-carbonitrile
InChI	InChI=1S/C9H7N3/c10-4-6-5-12-9-2-1-7(11)3-8(6)9/h1-3,5,12H,11H2
InChI Key	HQJKORKNJCYTNG-UHFFFAOYSA-N
MDL Number	MFCD07776149
Molecular Formula	C9H7N3
Molecular Weight	157.1720
SMILES	N#CC1=CNC2=C1C=C(N)C=C2
Synonyms	5-amino-1H-indole-3-carbonitrile, 159768-57-7, 5-Amino-3-cyanoindole, 1H-Indole-3-carbonitrile,5-amino-, 1H-Indole-3-carbonitrile, 5-amino-, 5-aminoindole-3-carbonitrile, SCHEMBL3298121, CTK4D0210, DTXSID30633401, HQJKORKNJCYTNG-UHFFFAOYSA-N, ANW-47948, FCH856686, MFCD07776149, ZINC26894828, AKOS006287085, VI30249, KS-00000F10, AJ-82911, AK-61016, AN-17108, BR-61016, DS-16481, EN002032, AX8102237, DB-064306, TC-136693, CS-0043930, FT-0739575, ST24032890, W3468, A50003, S-7103, C9H7N3, A12891,

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	1.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H302
Packing Group	\N
Precautionary statements	P280-P305+P351+P338
UN Code	\N

Certificate of Analysis

Lot Number