Home Aminos 3-(aminomethyl)pyridin-1-ium-1-olate dihydrochloride

3-(aminomethyl)pyridin-1-ium-1-olate dihydrochloride

CAS No.:
1010800-28-8
Catalog Number:
AG01EI3F
Molecular Formula:
C6H10Cl2N2O
Molecular Weight:
197.0624
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Product Description
Catalog Number:
AG01EI3F
Chemical Name:
3-(aminomethyl)pyridin-1-ium-1-olate dihydrochloride
CAS Number:
1010800-28-8
Molecular Formula:
C6H10Cl2N2O
Molecular Weight:
197.0624
MDL Number:
MFCD10575006
IUPAC Name:
(1-oxidopyridin-1-ium-3-yl)methanamine;dihydrochloride
InChI:
InChI=1S/C6H8N2O.2ClH/c7-4-6-2-1-3-8(9)5-6;;/h1-3,5H,4,7H2;2*1H
InChI Key:
VFXAZEQTNPPPDF-UHFFFAOYSA-N
SMILES:
NCc1ccc[n+](c1)[O-].Cl.Cl
Properties
Complexity:
87.1  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.017g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
197.059g/mol
Monoisotopic Mass:
196.017g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
51.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties