Home Other Building Blocks 1-(4H-1,2,4-triazol-3-yl)propan-1-amine hydrochloride

1-(4H-1,2,4-triazol-3-yl)propan-1-amine hydrochloride

CAS No.:
1333802-64-4
Catalog Number:
AG01AKK1
Molecular Formula:
C5H11ClN4
Molecular Weight:
162.6206
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Product Description
Catalog Number:
AG01AKK1
Chemical Name:
1-(4H-1,2,4-triazol-3-yl)propan-1-amine hydrochloride
CAS Number:
1333802-64-4
Molecular Formula:
C5H11ClN4
Molecular Weight:
162.6206
MDL Number:
MFCD19982602
IUPAC Name:
1-(1H-1,2,4-triazol-5-yl)propan-1-amine;hydrochloride
InChI:
InChI=1S/C5H10N4.ClH/c1-2-4(6)5-7-3-8-9-5;/h3-4H,2,6H2,1H3,(H,7,8,9);1H
InChI Key:
VLLPUTKVFHFHFH-UHFFFAOYSA-N
SMILES:
CCC(c1nnc[nH]1)N.Cl
Properties
Complexity:
85  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.067g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
162.621g/mol
Monoisotopic Mass:
162.067g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
67.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties