Basic information
- CAS
648408-36-0- Standard SMILES
Cn1cccc1C(=O)NN=C(N)CCl- InChIKey
LMWFBBJCJCTHMT-UHFFFAOYSA-N- Molecular formula
- C8H11ClN4O
- Average molar mass
- 214.65 g/mol
- Monoisotopic mass
- 214.0621387
Names & identifiers
- Preferred name
- N'1-[(1-methyl-1H-pyrrol-2-yl)carbonyl]-2-chloroethanehydrazonamide
- IUPAC
- N-[(1-amino-2-chloroethylidene)amino]-1-methylpyrrole-2-carboxamide
- English name
- N'1-[(1-Methyl-1H-pyrrol-2-yl)carbonyl]-2-chloroethanehydrazonamide
- Molecular formula
- C8H11ClN4O
- Molecular weight
- 214.65
Names & synonyms
N'1-[(1-methyl-1H-pyrrol-2-yl)carbonyl]-2-chloroethanehydrazonamideN-[(1-amino-2-chloroethylidene)amino]-1-methylpyrrole-2-carboxamide648408-36-0DTXSID90380404DB-004891Chloro-N'-(1-methyl-1H-pyrrole-2-carbonyl)ethanehydrazonamide1H-Pyrrole-2-carboxylic acid, 1-methyl-, 2-(2-chloro-1-iminoethyl)hydrazide
Database identifiers
- CAS
648408-36-0- PubChem CID
- 2777181
- DTXSID
DTXSID90380404
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 72.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 243
Physicochemical properties
- Density
- 1.38 · 1.380±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 14.023 · 14.023±0.50(predicted)
Chemistry & industry
Suppliers3 total
Ryan Scientific, Inc.[email protected]
深圳爱拓化学有限公司0755- 33239182 · [email protected]
APOLLO-NMR[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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