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904816-03-1 | 6-AZEPAN-2-YL-QUINOLINE
CAS No: 904816-03-1 Catalog No: AG00GVCD MDL No:MFCD06660472
Product Description
Catalog Number:
AG00GVCD
Chemical Name:
6-AZEPAN-2-YL-QUINOLINE
CAS Number:
904816-03-1
Molecular Formula:
C15H18N2
Molecular Weight:
226.3168
MDL Number:
MFCD06660472
IUPAC Name:
6-(azepan-2-yl)quinoline
InChI:
InChI=1S/C15H18N2/c1-2-6-14(16-9-3-1)13-7-8-15-12(11-13)5-4-10-17-15/h4-5,7-8,10-11,14,16H,1-3,6,9H2
InChI Key:
VUWMEMWWPBIMMA-UHFFFAOYSA-N
SMILES:
C1CCNC(CC1)c1ccc2c(c1)cccn2
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.147g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
226.323g/mol
Monoisotopic Mass:
226.147g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
24.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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