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85591-77-1 | Quinoline, 1,2,3,4-tetrahydro-1,2-dimethyl-3-(phenylmethyl)-
CAS No: 85591-77-1 Catalog No: AG004QHQ MDL No:
Product Description
Catalog Number:
AG004QHQ
Chemical Name:
Quinoline, 1,2,3,4-tetrahydro-1,2-dimethyl-3-(phenylmethyl)-
CAS Number:
85591-77-1
Molecular Formula:
C18H21N
Molecular Weight:
251.3660
IUPAC Name:
3-benzyl-1,2-dimethyl-3,4-dihydro-2H-quinoline
InChI:
InChI=1S/C18H21N/c1-14-17(12-15-8-4-3-5-9-15)13-16-10-6-7-11-18(16)19(14)2/h3-11,14,17H,12-13H2,1-2H3
InChI Key:
QXYYRSNLFRCONU-UHFFFAOYSA-N
SMILES:
CC1C(Cc2ccccc2)Cc2c(N1C)cccc2
Properties
Complexity:
281
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.167g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
251.373g/mol
Monoisotopic Mass:
251.167g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
3.2A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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