N-[(3-methoxyphenyl)methylidene]hydroxylamine
Basic information
- CAS
38489-80-4- Standard SMILES
COc1cccc(C=NO)c1- InChIKey
VDCBJAPSEUTPTQ-UHFFFAOYSA-N- Molecular formula
- C8H9NO2
- Average molar mass
- 151.16 g/mol
- Monoisotopic mass
- 151.06332853
Names & identifiers
- Preferred name
- N-[(3-methoxyphenyl)methylidene]hydroxylamine
- IUPAC
- N-[(3-methoxyphenyl)methylidene]hydroxylamine
- English name
- Benzaldehyde,3-methoxy-,o
- Molecular formula
- C8H9NO2
- Molecular weight
- 151.16
Names & synonyms
3-Methoxybenzaldehyde oximeN-[(3-methoxyphenyl)methylidene]hydroxylamineMFCD022560333-anisaldoxime3-METHOXY-BENZALDEHYDEOXIMEN-hydroxy-1-(3-methoxyphenyl)methanimineSCHEMBL2121152SCHEMBL27880181DTXSID80959360VDCBJAPSEUTPTQ-UHFFFAOYSA-NAKOS017263822DB-183612
Show more names
3-MethoxybenzaldoximeBenzaldehyde,3-methoxy-,o(E)-3-Methoxybenzaldehyde oxiMeBenzaldehyde, 3-methoxy-, oxime(E/Z)-3-Methoxybenzaldehyde oxime
Database identifiers
- CAS
38489-80-4- PubChem CID
- 293577
- DTXSID
DTXSID80959360
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 41.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 136
Physicochemical properties
- Melting point
- 40 · 40-41 °C
- Boiling point
- 170 °C · 170 °C(Press: 26 Torr)
- Density
- 1.077 · 1.077±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 10.832 · 10.832±0.10(predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H315-H319-H302+H312+H332
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
- HazardClass
- IRRITANT
- HS Code
- 2913000090 · 2913000090
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
- hs_code
- 2913000090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H335-H315-H319-H302+H312+H332
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
3 records
Compound notes
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