AG00I6LU

33537-99-4 | Isoquinoline, 6-chloro-1,2,3,4-tetrahydro-

AG00I6LU

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CAS Number	33537-99-4
Catalog Number	AG00I6LU(AGN-PC-00G78G)
Chemical Name	Isoquinoline, 6-chloro-1,2,3,4-tetrahydro-
IUPAC Name	6-chloro-1,2,3,4-tetrahydroisoquinoline
InChI	InChI=1S/C9H10ClN/c10-9-2-1-8-6-11-4-3-7(8)5-9/h1-2,5,11H,3-4,6H2
InChI Key	NSURINBXOVVUNR-UHFFFAOYSA-N
MDL Number	MFCD06739156
Molecular Formula	C9H10ClN
Molecular Weight	167.6354
SMILES	ClC1=CC2=C(CNCC2)C=C1
Synonyms	6-chloro-1,2,3,4-tetrahydroisoquinoline, 33537-99-4, 6-Chloro-1,2,3,4-tetrahydro-isoquinoline, ISOQUINOLINE, 6-CHLORO-1,2,3,4-TETRAHYDRO-, SCHEMBL532012, CHEMBL344495, DTXSID90472772, NSURINBXOVVUNR-UHFFFAOYSA-N, BCP26776, ANW-45088, MFCD06739156, ZINC27557851, AKOS006229308, AB28730, CC-1228, CS-W005061, MCULE-1592665545, MP-1141, TRA0033346, KS-0000106F, AJ-83333, AK-28677, DS-11102, SC-25037, AB0024280, DB-012305, TC-063022, 4CH-006304, A5971, AM20040201, FT-0696810, ST24033099, W5519, C90101, 537C994, J-019243, 6-Chloro-1,2,3,4-tetrahydroisoquinoline, AldrichCPR, I14-10341, F9995-1251, 6-Chloroisoquinoline, C9H10ClN, ACN-045021, CID11789594, 33537-97-2,

Complexity	138
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	167.05g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	167.636g/mol
Monoisotopic Mass	167.05g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	12A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P264-P270-P301+P312-P330-P501
UN Code

Certificate of Analysis

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