AG00ECOB

59529-21-4 | 1-Pentyl-1H-indole

AG00ECOB

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CAS Number	59529-21-4
Catalog Number	AG00ECOB(AGN-PC-0KUOOY)
Chemical Name	1-Pentyl-1H-indole
IUPAC Name	1-pentylindole
InChI	InChI=1S/C13H17N/c1-2-3-6-10-14-11-9-12-7-4-5-8-13(12)14/h4-5,7-9,11H,2-3,6,10H2,1H3
InChI Key	QWLCOOAYMQWDPR-UHFFFAOYSA-N
MDL Number	MFCD00963300
Molecular Formula	C13H17N
Molecular Weight	187.2808
SMILES	CCCCCN1C=CC2=C1C=CC=C2
Synonyms	1-pentyl-1H-indole, 1-pentylindole, 59529-21-4, QWLCOOAYMQWDPR-UHFFFAOYSA-N, Q-200131, N-Pentylindole, pentyl 1h indol, AC1MQNOX, 1H-Indole, 1-pentyl-, SCHEMBL4554026, CTK1E7175, DTXSID90392628, ZINC5309013, 8859AB, MFCD00963300, AKOS013124339, AJ-53778, AS-48268, BBV-37859700, AX8250723, FT-0673614, ST24038164, C13H17N, CID3454683,

Complexity	167
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	4
Topological Polar Surface Area	4.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.4

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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