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53627-32-0 | Quinoline, 1,2,3,4-tetrahydro-2-(1-methylethyl)- (9CI)
CAS No: 53627-32-0 Catalog No: AG00E3OY MDL No:MFCD18970675
Product Description
Catalog Number:
AG00E3OY
Chemical Name:
Quinoline, 1,2,3,4-tetrahydro-2-(1-methylethyl)- (9CI)
CAS Number:
53627-32-0
Molecular Formula:
C12H17N
Molecular Weight:
175.2701
MDL Number:
MFCD18970675
IUPAC Name:
2-propan-2-yl-1,2,3,4-tetrahydroquinoline
InChI:
InChI=1S/C12H17N/c1-9(2)11-8-7-10-5-3-4-6-12(10)13-11/h3-6,9,11,13H,7-8H2,1-2H3
InChI Key:
QTMOXLMMSRXXGQ-UHFFFAOYSA-N
SMILES:
CC(C1CCc2c(N1)cccc2)C
Properties
Complexity:
165
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:
1
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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