Home Other Building Blocks 2-(1-methyl-3-phenyl-1H-1,2,4-triazol-5-yl)ethan-1-amine dihydrochloride

2-(1-methyl-3-phenyl-1H-1,2,4-triazol-5-yl)ethan-1-amine dihydrochloride

CAS No.:
1427378-77-5
Catalog Number:
AG01A3RF
Molecular Formula:
C11H16Cl2N4
Molecular Weight:
275.1775
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Product Description
Catalog Number:
AG01A3RF
Chemical Name:
2-(1-methyl-3-phenyl-1H-1,2,4-triazol-5-yl)ethan-1-amine dihydrochloride
CAS Number:
1427378-77-5
Molecular Formula:
C11H16Cl2N4
Molecular Weight:
275.1775
MDL Number:
MFCD23144075
IUPAC Name:
2-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)ethanamine;dihydrochloride
InChI:
InChI=1S/C11H14N4.2ClH/c1-15-10(7-8-12)13-11(14-15)9-5-3-2-4-6-9;;/h2-6H,7-8,12H2,1H3;2*1H
InChI Key:
JJLAZAAKEQGJHK-UHFFFAOYSA-N
SMILES:
NCCc1nc(nn1C)c1ccccc1.Cl.Cl
Properties
Complexity:
191  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.075g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
275.177g/mol
Monoisotopic Mass:
274.075g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
56.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties