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89656-49-5 | 1H-Azepine, 2-heptylhexahydro-
CAS No: 89656-49-5 Catalog No: AG0043UT MDL No:
Product Description
Catalog Number:
AG0043UT
Chemical Name:
1H-Azepine, 2-heptylhexahydro-
CAS Number:
89656-49-5
Molecular Formula:
C13H27N
Molecular Weight:
197.3602
IUPAC Name:
2-heptylazepane
InChI:
InChI=1S/C13H27N/c1-2-3-4-5-7-10-13-11-8-6-9-12-14-13/h13-14H,2-12H2,1H3
InChI Key:
SIJCJSWEFVOBQL-UHFFFAOYSA-N
SMILES:
CCCCCCCC1CCCCCN1
Properties
Complexity:
122
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.214g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
197.366g/mol
Monoisotopic Mass:
197.214g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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