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1234-22-6 | 1H-Azepine, 1,1'-(1,4-cyclohexylenedimethylene)bis[hexahydro-, dihydrochloride, trans- (8CI)
CAS No: 1234-22-6 Catalog No: AG000KIR MDL No:
Product Description
Catalog Number:
AG000KIR
Chemical Name:
1H-Azepine, 1,1'-(1,4-cyclohexylenedimethylene)bis[hexahydro-, dihydrochloride, trans- (8CI)
CAS Number:
1234-22-6
Molecular Formula:
C20H40Cl2N2
Molecular Weight:
379.4510
IUPAC Name:
1-[[4-(azepan-1-ylmethyl)cyclohexyl]methyl]azepane;dihydrochloride
InChI:
InChI=1S/C20H38N2.2ClH/c1-2-6-14-21(13-5-1)17-19-9-11-20(12-10-19)18-22-15-7-3-4-8-16-22;;/h19-20H,1-18H2;2*1H
InChI Key:
JUSNIEPCJNWQRR-UHFFFAOYSA-N
SMILES:
C1CCCCN(C1)CC1CCC(CC1)CN1CCCCCC1.Cl.Cl
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
378.257g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
379.454g/mol
Monoisotopic Mass:
378.257g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
6.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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