Basic information
- CAS
6268-66-2- Standard SMILES
COc1cccc(/C=N/NC(N)=O)c1OC- InChIKey
ODCDIBNSAFJIID-WUXMJOGZSA-N- Molecular formula
- C10H13N3O3
- Average molar mass
- 223.23 g/mol
- Monoisotopic mass
- 223.09569129
Overview
See also: 2,3-Dimethoxybenzaldehyde semicarbazone (annotation moved to).
Names & identifiers
- Preferred name
- [(E)-(2,3-dimethoxyphenyl)methylideneamino]urea
- IUPAC
- [(E)-(2,3-dimethoxyphenyl)methylideneamino]urea
- English name
- [(E)-[(2,3-dimethoxyphenyl)methylidene]amino]urea
- Molecular formula
- C10H13N3O3
- Molecular weight
- 223.23
Names & synonyms
6268-66-2NSC36285NSC-36285AKOS0089396232,3-DIMETHOXYBENZALDEHYDE SEMICARBAZONE[(E)-[(2,3-dimethoxyphenyl)methylidene]amino]urea
Database identifiers
- CAS
6268-66-2- PubChem CID
- 6876141
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 85.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 258
Physicochemical properties
- Melting point
- 231 °C · 231 °C (decomp)
- Density
- 1.241 · 1.241±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 11.266 · 11.266±0.46(predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Suppliers1 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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