AG00I6PQ

33985-71-6 | 2,3,6,7-Tetrahydro-1H,5H-pyrido[3,2,1-ij]quinoline-9-carbaldehyde

AG00I6PQ

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CAS Number	33985-71-6
Catalog Number	AG00I6PQ(AGN-PC-0JM364)
Chemical Name	2,3,6,7-Tetrahydro-1H,5H-pyrido[3,2,1-ij]quinoline-9-carbaldehyde
IUPAC Name	1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-7-carbaldehyde
InChI	InChI=1S/C13H15NO/c15-9-10-7-11-3-1-5-14-6-2-4-12(8-10)13(11)14/h7-9H,1-6H2
InChI Key	XIIVBURSIWWDEO-UHFFFAOYSA-N
MDL Number	MFCD00151555
Molecular Formula	C13H15NO
Molecular Weight	201.2643
NSC Number	159999
SMILES	O=CC1=CC2=C(N3CCC2)C(CCC3)=C1
UNII	X7O18JQ57M
Synonyms	33985-71-6, 9-Julolidinecarboxaldehyde, 1,2,3,5,6,7-Hexahydropyrido[3,2,1-ij]quinoline-9-carbaldehyde, 9-Julolidine carboxaldehyde, JULOLIDINE-9-CARBALDEHYDE, 1H,5H-Benzo[ij]quinolizine-9-carboxaldehyde, 2,3,6,7-tetrahydro-, NSC 159999, BRN 0178538, UNII-X7O18JQ57M, X7O18JQ57M, 2,3,6,7-tetrahydro-1H,5H-pyrido[3,2,1-ij]quinoline-9-carbaldehyde, AK130296, 1H,5H-Benzo(ij)quinolizine-9-carboxaldehyde, 2,3,6,7-tetrahydro-, 2,3,6,7-Tetrahydro-1H,5H-benzo(ij)quinolizine-9-carboxaldehyde, 2,3,6,7-Tetrahydro-1H,5H-benzo[ij]quinolizine-9-carboxaldehyde, NSC159999, AC1L40CY, Oprea1_862885, 5-21-08-00386 (Beilstein Handbook Reference), SCHEMBL254935, CHEMBL2143785, DTXSID4067806, CTK4H1564, XIIVBURSIWWDEO-UHFFFAOYSA-, XIIVBURSIWWDEO-UHFFFAOYSA-N, KS-000014NX, ZINC4532632, 0859AE, MFCD00151555, AKOS015903045, NSC-159999, NCGC00188235-01, NCGC00188235-02, NCGC00188235-03, AC-24426, AJ-51578, AS-38857, LS-40202, AX8246660, CS-0060780, J0008, 985J716, I14-18829, 1H,5H-Benzo[ij]quinolizine-9-carboxaldehyde,2,3,6,7-tetrahydro-, 1-azatricyclo[7.3.1.0?,??]trideca-5,7,9(13)-triene-7-carbaldehyde, 2,3,6,7-tetrahydro-1 H,5H-pyrido[3,2, 1-ij]quinoline-9-carbaldehyde, InChI=1/C13H15NO/c15-9-10-7-11-3-1-5-14-6-2-4-12(8-10)13(11)14/h7-9H,1-6H2, C13H15NO, C13-H15-N-O, CID98700,

Complexity	233
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	201.115g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	201.269g/mol
Monoisotopic Mass	201.115g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	20.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.3

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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