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

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

CAS No.:
1955506-49-6
Catalog Number:
AG01B562
Molecular Formula:
C5H11ClN4O
Molecular Weight:
178.6200
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Product Description
Catalog Number:
AG01B562
Chemical Name:
[5-(methoxymethyl)-4H-1,2,4-triazol-3-yl]methanamine hydrochloride
CAS Number:
1955506-49-6
Molecular Formula:
C5H11ClN4O
Molecular Weight:
178.6200
MDL Number:
MFCD29991938
IUPAC Name:
[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]methanamine;hydrochloride
InChI:
InChI=1S/C5H10N4O.ClH/c1-10-3-5-7-4(2-6)8-9-5;/h2-3,6H2,1H3,(H,7,8,9);1H
InChI Key:
DTZBJPKOFDWLRR-UHFFFAOYSA-N
SMILES:
COCc1nnc([nH]1)CN.Cl
Properties
Complexity:
99.6  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.062g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
178.62g/mol
Monoisotopic Mass:
178.062g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
76.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties