AG008SLA

113188-83-3 | 5-Chloro-1h-indole-3-methanamine

AG008SLA

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CAS Number	113188-83-3
Catalog Number	AG008SLA(AGN-PC-0380J3)
Chemical Name	5-Chloro-1h-indole-3-methanamine
IUPAC Name	(5-chloro-1H-indol-3-yl)methanamine
InChI	InChI=1S/C9H9ClN2/c10-7-1-2-9-8(3-7)6(4-11)5-12-9/h1-3,5,12H,4,11H2
InChI Key	WZHCQPLLALCYQP-UHFFFAOYSA-N
MDL Number	MFCD06657113
Molecular Formula	C9H9ClN2
Molecular Weight	180.6342
SMILES	NCC1=CNC2=C1C=C(Cl)C=C2
Synonyms	(5-Chloro-1H-indol-3-yl)methanamine, 113188-83-3, 5-Chloro-1H-indole-3-methanamine, 1H-Indole-3-methanamine, 5-chloro-, 5-CHLORO-1H-INDOL-3-METHYLAMINE, 1H-Indole-3-methanamine,5-chloro-, 1-(5-chloro-1H-indol-3-yl)methanamine, AK126467, J-200179, ACMC-1BOZI, SCHEMBL892446, CTK4A8137, (5-Chloroindol-3-Yl)methanamine, DTXSID30611941, WZHCQPLLALCYQP-UHFFFAOYSA-N, KS-00000F3N, FCH853002, MFCD06657113, STL483799, ZINC20269175, AKOS006295098, GS-5537, AJ-76725, SC-12324, AB0046976, AX8103230, 4CH-022226, ST24034833, 188C833, (5-Chloro-indol-3-yl)methanamine,

Complexity	163
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	180.045g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	180.635g/mol
Monoisotopic Mass	180.045g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	41.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

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