Home Other Building Blocks 1-[5-(butan-2-yl)-1H-1,2,4-triazol-3-yl]ethan-1-amine hydrochloride

1-[5-(butan-2-yl)-1H-1,2,4-triazol-3-yl]ethan-1-amine hydrochloride

CAS No.:
1787904-43-1
Catalog Number:
AG01BDS8
Molecular Formula:
C8H17ClN4
Molecular Weight:
204.7004
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Product Description
Catalog Number:
AG01BDS8
Chemical Name:
1-[5-(butan-2-yl)-1H-1,2,4-triazol-3-yl]ethan-1-amine hydrochloride
CAS Number:
1787904-43-1
Molecular Formula:
C8H17ClN4
Molecular Weight:
204.7004
MDL Number:
MFCD28023803
IUPAC Name:
1-(3-butan-2-yl-1H-1,2,4-triazol-5-yl)ethanamine;hydrochloride
InChI:
InChI=1S/C8H16N4.ClH/c1-4-5(2)7-10-8(6(3)9)12-11-7;/h5-6H,4,9H2,1-3H3,(H,10,11,12);1H
InChI Key:
OQOFWPMJKGGVMX-UHFFFAOYSA-N
SMILES:
CCC(c1[nH]nc(n1)C(N)C)C.Cl
Properties
Complexity:
139  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.114g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
204.702g/mol
Monoisotopic Mass:
204.114g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
67.6A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
Properties