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20422-02-0 | 1H-Azepine, 1-hexylhexahydro-
CAS No: 20422-02-0 Catalog No: AG0029CM MDL No:
Product Description
Catalog Number:
AG0029CM
Chemical Name:
1H-Azepine, 1-hexylhexahydro-
CAS Number:
20422-02-0
Molecular Formula:
C12H25N
Molecular Weight:
183.3336
IUPAC Name:
1-hexylazepane
InChI:
InChI=1S/C12H25N/c1-2-3-4-7-10-13-11-8-5-6-9-12-13/h2-12H2,1H3
InChI Key:
CNAVQNCUXDPHPV-UHFFFAOYSA-N
SMILES:
CCCCCCN1CCCCCC1
Properties
Complexity:
104
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.199g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
183.339g/mol
Monoisotopic Mass:
183.199g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
3.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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