Basic information
- CAS
28177-14-2- Standard SMILES
NC(=O)c1[nH]cnc1NN=NCCCl- InChIKey
NTSGCNCEAGGYGC-UHFFFAOYSA-N- Molecular formula
- C6H9ClN6O
- Average molar mass
- 216.63 g/mol
- Monoisotopic mass
- 216.0526366
Overview
breakdown product of M&B 39565
Names & identifiers
- Preferred name
- 5-(3-(2-Chloroethyl)triazen-1-yl)imidazole-4-carboxamide
- IUPAC
- 4-[2-(2-chloroethylimino)hydrazinyl]-1H-imidazole-5-carboxamide
- English name
- 5-(3-(2-chloroethyl)triazen-1-yl)imidazole-4-carboxamide
- Molecular formula
- C6H9ClN6O
- Molecular weight
- 216.63
Names & synonyms
28177-14-25-(3-(2-Chloroethyl)triazen-1-yl)imidazole-4-carboxamideRefChem:101650NSC 157949SCHEMBL16048981SCHEMBL25859836SCHEMBL31415967DTXSID30950928Imidazole-4-carboxamide, 5-(3-(2-chloroethyl)-1-triazenyl)-1H-Imidazole-4-carboxamide, 5-(3-(2-chloroethyl)-1-triazenyl)-NSC157949NSC-157949
Show more names
1H-Imidazole-4-carboxamide, 5-[3-(2-chloroethyl)-2-triazen-1-yl]-
5[3-(2-chloroethyl)triazen-1-yl]imidazole-4-carboxamide1H-Imidazole-4-carboxamide, 5-[3-(2-chloroethyl)-1-triazenyl ]-5-[3-(2-Chloroethyl)triaz-2-en-1-yl]-1H-imidazole-4-carboxamide
Database identifiers
- CAS
28177-14-2- PubChem CID
- 98658
- DTXSID
DTXSID30950928- Nikkaji
- J61.491B
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 222
Physicochemical properties
- Boiling point
- 522.7 · 522.7±60.0 °C(Predicted)
- Density
- 1.69 · 1.69±0.1 g/cm3(Predicted)
- pka
- 10.31 · 10.31±0.10(Predicted)
Chemistry & industry
Suppliers1 total
CHEMICAL LAND21[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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