Home Nitriles 3-[(azetidin-3-yl)amino]benzonitrile dihydrochloride

3-[(azetidin-3-yl)amino]benzonitrile dihydrochloride

CAS No.:
1989659-31-5
Catalog Number:
AG01B6ER
Molecular Formula:
C10H13Cl2N3
Molecular Weight:
246.1363
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Product Description
Catalog Number:
AG01B6ER
Chemical Name:
3-[(azetidin-3-yl)amino]benzonitrile dihydrochloride
CAS Number:
1989659-31-5
Molecular Formula:
C10H13Cl2N3
Molecular Weight:
246.1363
MDL Number:
MFCD30342815
IUPAC Name:
3-(azetidin-3-ylamino)benzonitrile;dihydrochloride
InChI:
InChI=1S/C10H11N3.2ClH/c11-5-8-2-1-3-9(4-8)13-10-6-12-7-10;;/h1-4,10,12-13H,6-7H2;2*1H
InChI Key:
GXTMHDONPUYTBW-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1)NC1CNC1.Cl.Cl
Properties
Complexity:
214  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.049g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
246.135g/mol
Monoisotopic Mass:
245.049g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
47.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties