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41565-86-0 | 4,4-DIMETHYL-1,2,3,4-TETRAHYDRO-ISOQUINOLINE HYDROCHLORIDE
CAS No: 41565-86-0 Catalog No: AG00CKSG MDL No:MFCD11501295
Product Description
Catalog Number:
AG00CKSG
Chemical Name:
4,4-DIMETHYL-1,2,3,4-TETRAHYDRO-ISOQUINOLINE HYDROCHLORIDE
CAS Number:
41565-86-0
Molecular Formula:
C11H16ClN
Molecular Weight:
197.7044
MDL Number:
MFCD11501295
IUPAC Name:
4,4-dimethyl-2,3-dihydro-1H-isoquinoline;hydrochloride
InChI:
InChI=1S/C11H15N.ClH/c1-11(2)8-12-7-9-5-3-4-6-10(9)11;/h3-6,12H,7-8H2,1-2H3;1H
InChI Key:
GKEXKZRMVZSSPD-UHFFFAOYSA-N
SMILES:
CC1(C)CNCc2c1cccc2.Cl
Properties
Complexity:
162
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.097g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
197.706g/mol
Monoisotopic Mass:
197.097g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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