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1220039-90-6 | 1H-1,2,4-Triazole-3-ethanamine, 5-phenyl-, hydrochloride (1:2)
CAS No: 1220039-90-6 Catalog No: AG0016LR MDL No:MFCD06738926
Product Description
Catalog Number:
AG0016LR
Chemical Name:
1H-1,2,4-Triazole-3-ethanamine, 5-phenyl-, hydrochloride (1:2)
CAS Number:
1220039-90-6
Molecular Formula:
C10H14Cl2N4
Molecular Weight:
261.1510
MDL Number:
MFCD06738926
IUPAC Name:
2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethanamine;dihydrochloride
InChI:
InChI=1S/C10H12N4.2ClH/c11-7-6-9-12-10(14-13-9)8-4-2-1-3-5-8;;/h1-5H,6-7,11H2,(H,12,13,14);2*1H
InChI Key:
MUQVGLQUTFWWOA-UHFFFAOYSA-N
SMILES:
NCCc1n[nH]c(n1)c1ccccc1.Cl.Cl
Properties
Complexity:
168
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.06g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
261.15g/mol
Monoisotopic Mass:
260.06g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
67.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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