Home Other Building Blocks 1-(5-ethyl-1H-1,2,4-triazol-3-yl)ethan-1-ol hydrochloride

1-(5-ethyl-1H-1,2,4-triazol-3-yl)ethan-1-ol hydrochloride

CAS No.:
1955548-47-6
Catalog Number:
AG01B2QX
Molecular Formula:
C6H12ClN3O
Molecular Weight:
177.6320
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Product Description
Catalog Number:
AG01B2QX
Chemical Name:
1-(5-ethyl-1H-1,2,4-triazol-3-yl)ethan-1-ol hydrochloride
CAS Number:
1955548-47-6
Molecular Formula:
C6H12ClN3O
Molecular Weight:
177.6320
MDL Number:
MFCD29991703
IUPAC Name:
1-(5-ethyl-1H-1,2,4-triazol-3-yl)ethanol;hydrochloride
InChI:
InChI=1S/C6H11N3O.ClH/c1-3-5-7-6(4(2)10)9-8-5;/h4,10H,3H2,1-2H3,(H,7,8,9);1H
InChI Key:
YLTZLPMOPGOEPA-UHFFFAOYSA-N
SMILES:
CCc1[nH]nc(n1)C(O)C.Cl
Properties
Complexity:
109  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.067g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
177.632g/mol
Monoisotopic Mass:
177.067g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties