Home Other Building Blocks [5-(oxan-4-yl)-4H-1,2,4-triazol-3-yl]methanamine hydrochloride

[5-(oxan-4-yl)-4H-1,2,4-triazol-3-yl]methanamine hydrochloride

CAS No.:
2059937-95-8
Catalog Number:
AG01C0BY
Molecular Formula:
C8H15ClN4O
Molecular Weight:
218.6839
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Product Description
Catalog Number:
AG01C0BY
Chemical Name:
[5-(oxan-4-yl)-4H-1,2,4-triazol-3-yl]methanamine hydrochloride
CAS Number:
2059937-95-8
Molecular Formula:
C8H15ClN4O
Molecular Weight:
218.6839
MDL Number:
MFCD30497918
IUPAC Name:
[3-(oxan-4-yl)-1H-1,2,4-triazol-5-yl]methanamine;hydrochloride
InChI:
InChI=1S/C8H14N4O.ClH/c9-5-7-10-8(12-11-7)6-1-3-13-4-2-6;/h6H,1-5,9H2,(H,10,11,12);1H
InChI Key:
ZGJDOSRYECELKO-UHFFFAOYSA-N
SMILES:
NCc1nnc([nH]1)C1CCOCC1.Cl
Properties
Complexity:
160  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.093g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
218.685g/mol
Monoisotopic Mass:
218.093g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
76.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties