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114041-06-4 | 1H-Azepine, 1-(1-cycloocten-1-yl)hexahydro-
CAS No: 114041-06-4 Catalog No: AG000ADC MDL No:
Product Description
Catalog Number:
AG000ADC
Chemical Name:
1H-Azepine, 1-(1-cycloocten-1-yl)hexahydro-
CAS Number:
114041-06-4
Molecular Formula:
C14H25N
Molecular Weight:
207.3550
IUPAC Name:
1-(cycloocten-1-yl)azepane
InChI:
InChI=1S/C14H25N/c1-2-6-10-14(11-7-3-1)15-12-8-4-5-9-13-15/h10H,1-9,11-13H2
InChI Key:
SWFIBSFTFVUYNP-UHFFFAOYSA-N
SMILES:
C1CCCC(=CCC1)N1CCCCCC1
Properties
Complexity:
199
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.199g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
207.361g/mol
Monoisotopic Mass:
207.199g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
3.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.4
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