Home Other Building Blocks (dimethyl-4H-1,2,4-triazol-3-yl)methanamine dihydrochloride

(dimethyl-4H-1,2,4-triazol-3-yl)methanamine dihydrochloride

CAS No.:
1258639-69-8
Catalog Number:
AG01AB2Y
Molecular Formula:
C5H12Cl2N4
Molecular Weight:
199.0816
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Product Description
Catalog Number:
AG01AB2Y
Chemical Name:
(dimethyl-4H-1,2,4-triazol-3-yl)methanamine dihydrochloride
CAS Number:
1258639-69-8
Molecular Formula:
C5H12Cl2N4
Molecular Weight:
199.0816
MDL Number:
MFCD17977043
IUPAC Name:
(4,5-dimethyl-1,2,4-triazol-3-yl)methanamine;dihydrochloride
InChI:
InChI=1S/C5H10N4.2ClH/c1-4-7-8-5(3-6)9(4)2;;/h3,6H2,1-2H3;2*1H
InChI Key:
KAELDAFSYHVIFS-UHFFFAOYSA-N
SMILES:
NCc1nnc(n1C)C.Cl.Cl
Properties
Complexity:
95  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.044g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
199.079g/mol
Monoisotopic Mass:
198.044g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
56.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties