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1077-60-7 | 2,4,4-trimethyl-1,2,3,4-tetrahydroquinoline
CAS No: 1077-60-7 Catalog No: AG01A5H8 MDL No:MFCD20679053
Product Description
Catalog Number:
AG01A5H8
Chemical Name:
2,4,4-trimethyl-1,2,3,4-tetrahydroquinoline
CAS Number:
1077-60-7
Molecular Formula:
C12H17N
Molecular Weight:
175.2701
MDL Number:
MFCD20679053
IUPAC Name:
2,4,4-trimethyl-2,3-dihydro-1H-quinoline
InChI:
InChI=1S/C12H17N/c1-9-8-12(2,3)10-6-4-5-7-11(10)13-9/h4-7,9,13H,8H2,1-3H3
InChI Key:
IGZBTTJKEYOSEM-UHFFFAOYSA-N
SMILES:
CC1Nc2ccccc2C(C1)(C)C
Properties
Complexity:
186
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.136g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
175.275g/mol
Monoisotopic Mass:
175.136g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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