AG009BDU

13618-91-2 | 4,5,6,7-Tetrahydroindole

AG009BDU

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CAS Number	13618-91-2
Catalog Number	AG009BDU(AGN-PC-0JM2HO)
Chemical Name	4,5,6,7-Tetrahydroindole
IUPAC Name	4,5,6,7-tetrahydro-1H-indole
InChI	InChI=1S/C8H11N/c1-2-4-8-7(3-1)5-6-9-8/h5-6,9H,1-4H2
InChI Key	KQBVVLOYXDVATK-UHFFFAOYSA-N
MDL Number	MFCD00012134
Molecular Formula	C8H11N
Molecular Weight	121.1796
NSC Number	122455
SMILES	C1CCC2=C(C1)NC=C2
Synonyms	4,5,6,7-Tetrahydro-1H-indole, 13618-91-2, 4,5,6,7-Tetrahydroindole, 1H-Indole, 4,5,6,7-tetrahydro-, 2,3-Tetramethylenepyrrole, Cyclohex[b]pyrrole, NSC122455, AC1L3YHR, AC1Q1GJ4, SCHEMBL13511, DTXSID80159727, KQBVVLOYXDVATK-UHFFFAOYSA-N, 1H-Indole,4,5,6,7-tetrahydro-, KS-000004WR, ZINC4521854, 4,5,6,7-Tetrahydroindole, 98%, 6444AA, ANW-75061, MFCD00012134, AKOS006220512, NSC 122455, NSC-122455, AJ-51465, AS-50369, TX-013132, BB 0260885, CS-0006599, FT-0082591, FT-0600350, A1-00112, J-006819, I14-14443, Z274765016, InChI=1/C8H11N/c1-2-4-8-7(3-1)5-6-9-8/h5-6,9H,1-4H, JZ9, C8H11N, C8-H11-N, CID97429, 4,5,6,7-tetrahydrobenzo[b]pyrrole, AR-1F8242, ACN-029422, CB10084, Methyl (1-methyl-1H-pyrrol-2-yl)acetate, A2915, 1H-Pyrrole-2-acetic acid, 1-methyl-, methyl ester, 13772-63-9,

Complexity	101
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	121.089g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	0
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	121.183g/mol
Monoisotopic Mass	121.089g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	15.8A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	1.9

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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