Home Halogens 1-(3,4-dichlorophenyl)-1,4-diazepane dihydrochloride

1-(3,4-dichlorophenyl)-1,4-diazepane dihydrochloride

CAS No.:
1427380-95-7
Catalog Number:
AG01A3U2
Molecular Formula:
C11H16Cl4N2
Molecular Weight:
318.0701
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Product Description
Catalog Number:
AG01A3U2
Chemical Name:
1-(3,4-dichlorophenyl)-1,4-diazepane dihydrochloride
CAS Number:
1427380-95-7
Molecular Formula:
C11H16Cl4N2
Molecular Weight:
318.0701
MDL Number:
MFCD23144108
IUPAC Name:
1-(3,4-dichlorophenyl)-1,4-diazepane;dihydrochloride
InChI:
InChI=1S/C11H14Cl2N2.2ClH/c12-10-3-2-9(8-11(10)13)15-6-1-4-14-5-7-15;;/h2-3,8,14H,1,4-7H2;2*1H
InChI Key:
ZSVYDEBACXYVOW-UHFFFAOYSA-N
SMILES:
Clc1cc(ccc1Cl)N1CCNCCC1.Cl.Cl
Properties
Complexity:
201  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.004g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
318.063g/mol
Monoisotopic Mass:
316.007g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
15.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties