Home Nitriles 3-(dimethylamino)azetidine-3-carbonitrile dihydrochloride

3-(dimethylamino)azetidine-3-carbonitrile dihydrochloride

CAS No.:
1803604-82-1
Catalog Number:
AG01B96F
Molecular Formula:
C6H13Cl2N3
Molecular Weight:
198.0935
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Product Description
Catalog Number:
AG01B96F
Chemical Name:
3-(dimethylamino)azetidine-3-carbonitrile dihydrochloride
CAS Number:
1803604-82-1
Molecular Formula:
C6H13Cl2N3
Molecular Weight:
198.0935
MDL Number:
MFCD28348271
IUPAC Name:
3-(dimethylamino)azetidine-3-carbonitrile;dihydrochloride
InChI:
InChI=1S/C6H11N3.2ClH/c1-9(2)6(3-7)4-8-5-6;;/h8H,4-5H2,1-2H3;2*1H
InChI Key:
DNCDMORPQRHUMP-UHFFFAOYSA-N
SMILES:
CN(C1(CNC1)C#N)C.Cl.Cl
Properties
Complexity:
149  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.049g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
198.091g/mol
Monoisotopic Mass:
197.049g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
39.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties