AG002Z83

29726-60-1 | Isoquinoline, 1,2,3,4-tetrahydro-3-methyl-

AG002Z83

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CAS Number	29726-60-1
Catalog Number	AG002Z83(AGN-PC-0JT1JD)
Chemical Name	Isoquinoline, 1,2,3,4-tetrahydro-3-methyl-
IUPAC Name	3-methyl-1,2,3,4-tetrahydroisoquinoline
InChI	InChI=1S/C10H13N/c1-8-6-9-4-2-3-5-10(9)7-11-8/h2-5,8,11H,6-7H2,1H3
InChI Key	UEKQPSAKUNXFHL-UHFFFAOYSA-N
MDL Number	MFCD07187817
Molecular Formula	C10H13N
Molecular Weight	147.2169
SMILES	CC1CC2=C(CN1)C=CC=C2
Synonyms	3-methyl-1,2,3,4-tetrahydroisoquinoline, 3-MeTIQ, 3-Methyl-1,2,3,4-tetrahydroisoquinoline, 29726-60-1, 1,2,3,4-Tetrahydro-3-methylisoquinoline, Isoquinoline, 1,2,3,4-tetrahydro-3-methyl-, 3-Methyl-1,2,3,4-tetrahydro-isoquinoline, CHEMBL60434, UEKQPSAKUNXFHL-UHFFFAOYSA-N, BAS 03334621, AC1Q1HKS, AC1LC3M2, SCHEMBL1011182, SCHEMBL15334650, KS-00000JVD, HMS1698C16, ANW-75096, BDBM50023304, MFCD07187817, AKOS000650337, AKOS016843414, AB30586, MCULE-3517571472, NE31770, NCGC00184271-01, AK-77462, BS-13528, DA-07231, TC-163841, FT-0729461, ST24042290, EN300-86328, Z1259161645, D0Z7XI, KST-1B2839, AR-1B5145, CID568974, (R)-3-Methyl-1,2,3,4-tetrahydroisoquinoline, 29908-97-2, 179893-97-1,

Complexity	133
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	147.105g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	147.221g/mol
Monoisotopic Mass	147.105g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	12A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	1.8

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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