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1008526-84-8 | 2-(4H-1,2,4-Triazol-4-yl)ethanamine
CAS No: 1008526-84-8 Catalog No: AG000307 MDL No:MFCD03093052
Product Description
Catalog Number:
AG000307
Chemical Name:
2-(4H-1,2,4-Triazol-4-yl)ethanamine
CAS Number:
1008526-84-8
Molecular Formula:
C4H8N4
Molecular Weight:
112.1331
MDL Number:
MFCD03093052
IUPAC Name:
2-(1,2,4-triazol-4-yl)ethanamine
InChI:
InChI=1S/C4H8N4/c5-1-2-8-3-6-7-4-8/h3-4H,1-2,5H2
InChI Key:
ATCZRYPJBPXFIN-UHFFFAOYSA-N
SMILES:
NCCn1cnnc1
Properties
Complexity:
59.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
112.075g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
112.136g/mol
Monoisotopic Mass:
112.075g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
56.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.6
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