Home Halogens N-(4-chlorophenyl)-1,4-diazepane-1-carboxamide hydrochloride

N-(4-chlorophenyl)-1,4-diazepane-1-carboxamide hydrochloride

CAS No.:
1197685-68-9
Catalog Number:
AG019WPT
Molecular Formula:
C12H17Cl2N3O
Molecular Weight:
290.1889
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Product Description
Catalog Number:
AG019WPT
Chemical Name:
N-(4-chlorophenyl)-1,4-diazepane-1-carboxamide hydrochloride
CAS Number:
1197685-68-9
Molecular Formula:
C12H17Cl2N3O
Molecular Weight:
290.1889
MDL Number:
MFCD12913160
IUPAC Name:
N-(4-chlorophenyl)-1,4-diazepane-1-carboxamide;hydrochloride
InChI:
InChI=1S/C12H16ClN3O.ClH/c13-10-2-4-11(5-3-10)15-12(17)16-8-1-6-14-7-9-16;/h2-5,14H,1,6-9H2,(H,15,17);1H
InChI Key:
MQHUDQRGBKEHAP-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)NC(=O)N1CCNCCC1.Cl
Properties
Complexity:
254  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.075g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
290.188g/mol
Monoisotopic Mass:
289.075g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
44.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties