Home Other Building Blocks methyl[2-(1H-1,2,4-triazol-1-yl)ethyl]amine dihydrochloride

methyl[2-(1H-1,2,4-triazol-1-yl)ethyl]amine dihydrochloride

CAS No.:
1461705-94-1
Catalog Number:
AG01ABNA
Molecular Formula:
C5H12Cl2N4
Molecular Weight:
199.0816
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Product Description
Catalog Number:
AG01ABNA
Chemical Name:
methyl[2-(1H-1,2,4-triazol-1-yl)ethyl]amine dihydrochloride
CAS Number:
1461705-94-1
Molecular Formula:
C5H12Cl2N4
Molecular Weight:
199.0816
MDL Number:
MFCD26407651
IUPAC Name:
N-methyl-2-(1,2,4-triazol-1-yl)ethanamine;dihydrochloride
InChI:
InChI=1S/C5H10N4.2ClH/c1-6-2-3-9-5-7-4-8-9;;/h4-6H,2-3H2,1H3;2*1H
InChI Key:
VIRNLPZMXSOWDL-UHFFFAOYSA-N
SMILES:
CNCCn1ncnc1.Cl.Cl
Properties
Complexity:
75.4  
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:
3  
Topological Polar Surface Area:
42.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties