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Home Nitriles 5-Amino-2-(azepan-1-yl)benzonitrile hydrochloride

5-Amino-2-(azepan-1-yl)benzonitrile hydrochloride

CAS No.:
1349716-03-5
Catalog Number:
AG00J1U4
Molecular Formula:
C13H18ClN3
Molecular Weight:
251.7551
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$96
- +
5g
95%
In Stock USA
United States
$216
- +
Product Description
Catalog Number:
AG00J1U4
Chemical Name:
5-Amino-2-(azepan-1-yl)benzonitrile hydrochloride
CAS Number:
1349716-03-5
Molecular Formula:
C13H18ClN3
Molecular Weight:
251.7551
MDL Number:
MFCD19442228
IUPAC Name:
5-amino-2-(azepan-1-yl)benzonitrile;hydrochloride
InChI:
InChI=1S/C13H17N3.ClH/c14-10-11-9-12(15)5-6-13(11)16-7-3-1-2-4-8-16;/h5-6,9H,1-4,7-8,15H2;1H
InChI Key:
CKSOVKSGURQAEZ-UHFFFAOYSA-N
SMILES:
N#Cc1cc(N)ccc1N1CCCCCC1.Cl
Properties
Complexity:
260  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.119g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
251.758g/mol
Monoisotopic Mass:
251.119g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
53A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties