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Home > Quinoline > 1609400-78-3
1609400-78-3 | 1,3,3-trimethyl-1,2,3,4-tetrahydroisoquinoline hydrochloride
CAS No: 1609400-78-3 Catalog No: AG00J0X1 MDL No:MFCD03419488
Product Description
Catalog Number:
AG00J0X1
Chemical Name:
1,3,3-trimethyl-1,2,3,4-tetrahydroisoquinoline hydrochloride
CAS Number:
1609400-78-3
Molecular Formula:
C12H18ClN
Molecular Weight:
211.7310
MDL Number:
MFCD03419488
IUPAC Name:
1,3,3-trimethyl-2,4-dihydro-1H-isoquinoline;hydrochloride
InChI:
InChI=1S/C12H17N.ClH/c1-9-11-7-5-4-6-10(11)8-12(2,3)13-9;/h4-7,9,13H,8H2,1-3H3;1H
InChI Key:
RRZWGTBRGQQDJQ-UHFFFAOYSA-N
SMILES:
CC1NC(C)(C)Cc2c1cccc2.Cl
Properties
Complexity:
186
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.113g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
211.733g/mol
Monoisotopic Mass:
211.113g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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