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17507-27-6 | 4-(PROPAN-2-YL)-1,2,3,4-TETRAHYDROQUINOLINE
CAS No: 17507-27-6 Catalog No: AG01BNDP MDL No:MFCD20331688
Product Description
Catalog Number:
AG01BNDP
Chemical Name:
4-(PROPAN-2-YL)-1,2,3,4-TETRAHYDROQUINOLINE
CAS Number:
17507-27-6
Molecular Formula:
C12H17N
Molecular Weight:
175.2701
MDL Number:
MFCD20331688
IUPAC Name:
4-propan-2-yl-1,2,3,4-tetrahydroquinoline
InChI:
InChI=1S/C12H17N/c1-9(2)10-7-8-13-12-6-4-3-5-11(10)12/h3-6,9-10,13H,7-8H2,1-2H3
InChI Key:
RAYCNBTZDFOCIJ-UHFFFAOYSA-N
SMILES:
CC(C1CCNc2c1cccc2)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:
3.4
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