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Home > Indoles and Oxindole > 1951444-89-5
1951444-89-5 | 3-(Azepan-1-ylmethyl)-1h-indole-6-carbonitrile
CAS No: 1951444-89-5 Catalog No: AG00I3CI MDL No:
Product Description
Catalog Number:
AG00I3CI
Chemical Name:
3-(Azepan-1-ylmethyl)-1h-indole-6-carbonitrile
CAS Number:
1951444-89-5
IUPAC Name:
3-(azepan-1-ylmethyl)-1H-indole-6-carbonitrile
InChI:
InChI=1S/C16H19N3/c17-10-13-5-6-15-14(11-18-16(15)9-13)12-19-7-3-1-2-4-8-19/h5-6,9,11,18H,1-4,7-8,12H2
InChI Key:
MSVAIIPWNHSZNF-UHFFFAOYSA-N
Properties
Complexity:
337
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.158g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
253.349g/mol
Monoisotopic Mass:
253.158g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
42.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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