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

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

CAS No.:
1427379-43-8
Catalog Number:
AG01A3WD
Molecular Formula:
C4H9ClN4
Molecular Weight:
148.5941
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Product Description
Catalog Number:
AG01A3WD
Chemical Name:
1-(1H-1,2,4-triazol-3-yl)ethan-1-amine hydrochloride
CAS Number:
1427379-43-8
Molecular Formula:
C4H9ClN4
Molecular Weight:
148.5941
MDL Number:
MFCD23144135
IUPAC Name:
1-(1H-1,2,4-triazol-5-yl)ethanamine;hydrochloride
InChI:
InChI=1S/C4H8N4.ClH/c1-3(5)4-6-2-7-8-4;/h2-3H,5H2,1H3,(H,6,7,8);1H
InChI Key:
YLKSYIPVPZDDQY-UHFFFAOYSA-N
SMILES:
CC(c1n[nH]cn1)N.Cl
Properties
Complexity:
74.4  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
148.052g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
148.594g/mol
Monoisotopic Mass:
148.052g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
67.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties