AG001V86

16502-01-5 | 1H-Pyrido[3,4-b]indole, 2,3,4,9-tetrahydro-

AG001V86

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CAS Number	16502-01-5
Catalog Number	AG001V86(AGN-PC-008TQY)
Chemical Name	1H-Pyrido[3,4-b]indole, 2,3,4,9-tetrahydro-
IUPAC Name	2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
InChI	InChI=1S/C11H12N2/c1-2-4-10-8(3-1)9-5-6-12-7-11(9)13-10/h1-4,12-13H,5-7H2
InChI Key	CFTOTSJVQRFXOF-UHFFFAOYSA-N
MDL Number	MFCD00004954
Molecular Formula	C11H12N2
Molecular Weight	172.2264
SMILES	C1NCCC2=C1NC1=CC=CC=C21
UNII	65027TMI0H
Synonyms	1,2,3,4-tetrahydro-beta-carboline, 9H-1,2,3,4-tetrahydropyrido(3,4-b)indole, noreleagnine, tetrahydro-beta-carboline, tetrahydronorharmane, THbetaC, triptoline, tryptoline, tryptoline hydrochloride, tryptoline monohydrochloride, 16502-01-5, Tryptoline, 2,3,4,9-tetrahydro-1H-Pyrido[3,4-b]indole, Noreleagnine, 1,2,3,4-Tetrahydro-9H-pyrido[3,4-b]indole, 1,2,3,4-Tetrahydro-beta-carboline, Tetrahydro-beta-carboline, THBC, Tetrahydronorharman, UNII-65027TMI0H, 1H,2H,3H,4H,9H-Pyrido[3,4-B]Indole, 1H-Pyrido[3,4-b]indole, 2,3,4,9-tetrahydro-, 2,3,4,9-tetrahydro-1H-beta-carboline, MLS000069483, CHEMBL269236, 65027TMI0H, MFCD00004954, SMR000059115, Triptoline, Tetrahydronorharmane, Tetrahydro-beta-carboline, 98%, 1,2,3,4-tetrahydrobeta-carboline, 1,2,3,4-tetrahydro-9H-pyrido(3,4-B)indole, 2,3,4,9-Tetrahydro-1H-pyrido(3,4-b)indole, 9H-1,2,3,4-Tetrahydropyrido(3,4-b)indole, PubChem16189, Spectrum_000575, Opera_ID_234, SpecPlus_000545, tetrahydro beta-carboline, Spectrum2_001379, Spectrum3_001413, Spectrum4_001858, Spectrum5_000396, AC1Q1H8A, Oprea1_032098, BSPBio_003086, KBioGR_002297, KBioSS_001055, MLS001076332, MLS001424178, BIDD:GT0403, DivK1c_006641, SCHEMBL171755, SPBio_001338, 1,2,3,4-tetrahydronorharmane, AC1L32U9, CHEBI:92568, CTK8B6239, KBio1_001585, KBio2_001055, KBio2_003623, KBio2_006191, KBio3_002306, DTXSID10167835, CFTOTSJVQRFXOF-UHFFFAOYSA-N, HMS2052A05, HMS2235E21, HMS3370D07, HMS3394A05, ALBB-007680, CS-B1035, KS-00000GA0, 1,2,3,4-Tetrahydro-|A-carboline, 8380AA, ANW-53056, BBL027490, BDBM50130262, CCG-38855, SBB048967, STK501720, ZINC19418965, AKOS004119465, ACN-000557, MCULE-6905321940, NC00329, QC-4504, TRA0023692, 2,3,4,9-Tetrahydro-1H-|A-carboline, 2,3,4,9-Tetrahydro-1H-beta-carbolin, NCGC00018148-01, NCGC00018148-02, NCGC00018148-03, NCGC00018148-04, NCGC00023426-03, AC-17176, AJ-73372, AK-60388, BC211315, CPD000059115, DS-16389, FS000806, SAM001246862, 1,2,3,4-tetrahydropyrido[3,4-b]indole, AB0072711, DB-043608, TC-010568, 4CH-021287, A3668, BB 0260537, FT-0637372, ST24038469, ST50947377, N-8590, 1,2,3,4-Tetrahydro-9H-pyrido [3,4-b]indole, 1,2,3,4-tetrahydro-9H-pyrido-[3,4-b]indole, 1,2,3,4Tetrahydro-9H-pyrido [3,4-b] indole, 1,2,3,4-Tetrahydro-9H-pyrido [3,4-b] indole, 502T015, 9H-Pyrido(3,4-b)indole, 2,3,4,9-tetrahydro-, SR-01000000048, 1, 2, 3, 4-tetrahydro-9H-pyrido[3, 4-b]indole, SR-01000000048-4, 1,2,3,4-Tetrahydro-9H-pyrido[3,4-b]indole, 98%, F2113-0962, InChI=1/C11H12N2/c1-2-4-10-8(3-1)9-5-6-12-7-11(9)13-10/h1-4,12-13H,5-7H, THbetaC, tryptoline hydrochloride, tryptoline monohydrochloride, D03LPH, C11H12N2, CID107838, C11-H12-N2, 2,3,4,9-tetrahydro-1H- pyrido(3,4-b)indole, C009804, 1,2,3,4-Tetrahydro-9H-pyrido[3,4-b]indole, 98% - 1G 1g, THN,

Complexity	193
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	172.1g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	172.231g/mol
Monoisotopic Mass	172.1g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	27.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.5

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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