Home Nitriles 2-(1,4-diazepan-1-yl)benzonitrile hydrochloride

2-(1,4-diazepan-1-yl)benzonitrile hydrochloride

CAS No.:
1258650-73-5
Catalog Number:
AG01AAN9
Molecular Formula:
C12H16ClN3
Molecular Weight:
237.7285
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Product Description
Catalog Number:
AG01AAN9
Chemical Name:
2-(1,4-diazepan-1-yl)benzonitrile hydrochloride
CAS Number:
1258650-73-5
Molecular Formula:
C12H16ClN3
Molecular Weight:
237.7285
MDL Number:
MFCD17167246
IUPAC Name:
2-(1,4-diazepan-1-yl)benzonitrile;hydrochloride
InChI:
InChI=1S/C12H15N3.ClH/c13-10-11-4-1-2-5-12(11)15-8-3-6-14-7-9-15;/h1-2,4-5,14H,3,6-9H2;1H
InChI Key:
PHXLWMDGSYHKAK-UHFFFAOYSA-N
SMILES:
N#Cc1ccccc1N1CCNCCC1.Cl
Properties
Complexity:
243  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.103g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
237.731g/mol
Monoisotopic Mass:
237.103g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
39.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties