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88960-58-1 | Isoquinoline, 3,4-dihydro-1,3,3-trimethyl-, hydrochloride
CAS No: 88960-58-1 Catalog No: AG0046QH MDL No:
Product Description
Catalog Number:
AG0046QH
Chemical Name:
Isoquinoline, 3,4-dihydro-1,3,3-trimethyl-, hydrochloride
CAS Number:
88960-58-1
Molecular Formula:
C12H16ClN
Molecular Weight:
209.7151
IUPAC Name:
1,3,3-trimethyl-4H-isoquinoline;hydrochloride
InChI:
InChI=1S/C12H15N.ClH/c1-9-11-7-5-4-6-10(11)8-12(2,3)13-9;/h4-7H,8H2,1-3H3;1H
InChI Key:
JAOGQYKPUONGAZ-UHFFFAOYSA-N
SMILES:
CC1=NC(C)(C)Cc2c1cccc2.Cl
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.097g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
209.717g/mol
Monoisotopic Mass:
209.097g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
12.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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