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13562-24-8 | Quinoline, 1,2,3,4-tetrahydro-2,2,4-trimethyl-4-phenyl-
CAS No: 13562-24-8 Catalog No: AG00HUAY MDL No:MFCD00182056
Product Description
Catalog Number:
AG00HUAY
Chemical Name:
Quinoline, 1,2,3,4-tetrahydro-2,2,4-trimethyl-4-phenyl-
CAS Number:
13562-24-8
Molecular Formula:
C18H21N
Molecular Weight:
251.3660
MDL Number:
MFCD00182056
IUPAC Name:
2,2,4-trimethyl-4-phenyl-1,3-dihydroquinoline
InChI:
InChI=1S/C18H21N/c1-17(2)13-18(3,14-9-5-4-6-10-14)15-11-7-8-12-16(15)19-17/h4-12,19H,13H2,1-3H3
InChI Key:
OAKHEQUIFZCBFD-UHFFFAOYSA-N
SMILES:
CC1(C)Nc2ccccc2C(C1)(C)c1ccccc1
Properties
Complexity:
316
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:
1
Isotope Atom Count:
0
Molecular Weight:
251.373g/mol
Monoisotopic Mass:
251.167g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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