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

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

CAS No.:
1607021-99-7
Catalog Number:
AG01ACW3
Molecular Formula:
C10H13ClN4O
Molecular Weight:
240.6894
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Product Description
Catalog Number:
AG01ACW3
Chemical Name:
[3-(phenoxymethyl)-1H-1,2,4-triazol-5-yl]methanamine hydrochloride
CAS Number:
1607021-99-7
Molecular Formula:
C10H13ClN4O
Molecular Weight:
240.6894
MDL Number:
MFCD26936152
IUPAC Name:
[5-(phenoxymethyl)-1H-1,2,4-triazol-3-yl]methanamine;hydrochloride
InChI:
InChI=1S/C10H12N4O.ClH/c11-6-9-12-10(14-13-9)7-15-8-4-2-1-3-5-8;/h1-5H,6-7,11H2,(H,12,13,14);1H
InChI Key:
HFIOJMPQBDEGHV-UHFFFAOYSA-N
SMILES:
NCc1[nH]nc(n1)COc1ccccc1.Cl
Properties
Complexity:
184  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.078g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
240.691g/mol
Monoisotopic Mass:
240.078g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
76.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties