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4071-22-1 | 2,2,4-Trimethyl-1,2,3,4-tetrahydroquinoline hydrochloride
CAS No: 4071-22-1 Catalog No: AG0075EV MDL No:MFCD00193051
Product Description
Catalog Number:
AG0075EV
Chemical Name:
2,2,4-Trimethyl-1,2,3,4-tetrahydroquinoline hydrochloride
CAS Number:
4071-22-1
Molecular Formula:
C12H18ClN
Molecular Weight:
211.7310
MDL Number:
MFCD00193051
IUPAC Name:
2,2,4-trimethyl-3,4-dihydro-1H-quinoline;hydrochloride
InChI:
InChI=1S/C12H17N.ClH/c1-9-8-12(2,3)13-11-7-5-4-6-10(9)11;/h4-7,9,13H,8H2,1-3H3;1H
InChI Key:
LDPKSDQJKYSOPI-UHFFFAOYSA-N
SMILES:
CC1CC(C)(C)Nc2c1cccc2.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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