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

3-[methyl(pyrrolidin-3-yl)amino]benzonitrile dihydrochloride

CAS No.:
1955547-44-0
Catalog Number:
AG01B4US
Molecular Formula:
C12H17Cl2N3
Molecular Weight:
274.1895
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Product Description
Catalog Number:
AG01B4US
Chemical Name:
3-[methyl(pyrrolidin-3-yl)amino]benzonitrile dihydrochloride
CAS Number:
1955547-44-0
Molecular Formula:
C12H17Cl2N3
Molecular Weight:
274.1895
MDL Number:
MFCD29991800
IUPAC Name:
3-[methyl(pyrrolidin-3-yl)amino]benzonitrile;dihydrochloride
InChI:
InChI=1S/C12H15N3.2ClH/c1-15(12-5-6-14-9-12)11-4-2-3-10(7-11)8-13;;/h2-4,7,12,14H,5-6,9H2,1H3;2*1H
InChI Key:
XZFUEWFZEXCUCG-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1)N(C1CNCC1)C.Cl.Cl
Properties
Complexity:
255  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.08g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
274.189g/mol
Monoisotopic Mass:
273.08g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
39.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties