AG00I89Z

42951-35-9 | 1H-Indole, 1-butyl-2-methyl-

AG00I89Z

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CAS Number	42951-35-9
Catalog Number	AG00I89Z(AGN-PC-0KP0PM)
Chemical Name	1H-Indole, 1-butyl-2-methyl-
IUPAC Name	1-butyl-2-methylindole
InChI	InChI=1S/C13H17N/c1-3-4-9-14-11(2)10-12-7-5-6-8-13(12)14/h5-8,10H,3-4,9H2,1-2H3
InChI Key	OPAHUBUOHKIOOL-UHFFFAOYSA-N
MDL Number	MFCD04972048
Molecular Formula	C13H17N
Molecular Weight	187.2808
SMILES	CCCCN1C(C)=CC2=C1C=CC=C2
Synonyms	1-butyl-2-methylindole, 42951-35-9, 1-Butyl-2-methyl-1H-indole, 1H-Indole, 1-butyl-2-methyl-, 1- butyl-2-methylindole, 1-n-butyl-2-methylindole, PubChem7321, 1n-butyl-2-methylindole, AC1MJ3FG, 1-butyl-2-methyl-indole, 1-n-butyl-2-methyindole, SCHEMBL4220374, 1H-Indole,1-butyl-2-methyl-, DTXSID1068437, CTK4I6818, OPAHUBUOHKIOOL-UHFFFAOYSA-N, KS-000010GG, ZINC2539043, ANW-58845, MFCD04972048, AKOS005259041, VI30120, AC-28910, AJ-38789, AS-17328, BC214934, U581, DB-051001, TC-147590, FT-0639817, ST24037912, B-9495, K-8876, 951B359, A826079, I01-2932, C13H17N, C13-H17-N, CID3084883, 119812-29-2,

Complexity	178
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	187.136g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	0
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	187.286g/mol
Monoisotopic Mass	187.136g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	4.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4

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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