3-Methylbutanal oxime
Basic information
- CAS
626-90-4- Standard SMILES
CC(C)CC=NO- InChIKey
JAUPRNSQRRCCRR-UHFFFAOYSA-N- Molecular formula
- C5H11NO
- Average molar mass
- 101.15 g/mol
- Monoisotopic mass
- 101.08406397
Names & identifiers
- Preferred name
- 3-Methylbutanal oxime
- IUPAC
- N-(3-methylbutylidene)hydroxylamine
- English name
- 3-methylbutyraldehyde oxime
- Molecular formula
- C5H11NO
- Molecular weight
- 101.15
Names & synonyms
3-Methylbutanal oximeRefChem:504165Butanal, 3-methyl-, oximeN-(3-methylbutylidene)hydroxylamine3-methylbutyraldoxime3-Methyl-butyraldehyde oximeSCHEMBL264513SCHEMBL7575725SCHEMBL11494064DTXSID30878759DB-243860Einecs 210-970-9
Show more names
Isovaleraldoxime3,3-Dimethylpropanaloxime3-methylbutyraldehyde oxime
Database identifiers
- CAS
626-90-4- PubChem CID
- 96469
- DTXSID
DTXSID30878759
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 32.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 59.1
Physicochemical properties
- Melting point
- 48.5 °C · 48.5°C
- Boiling point
- 189.55 °C · 189.55°C (rough estimate)
- Density
- 0.8934 · 0.8934
- refractive index
- 1.4367 · 1.4367 (estimate)
- LogP
- 1.28 · 1.280 (est)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 227 · H227-H319-H335-H315-H312-H332-H302
- Precautionary statements
- 210 · P210-P280-P370+P378-P403+P235-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P280-P302+P352-P312-P322-P363-P501-P261-P271-P304+P340-P312-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
- H227-H319-H335-H315-H312-H332-H302
- Precautionary statements
- P210-P280-P370+P378-P403+P235-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P280-P302+P352-P312-P322-P363-P501-P261-P271-P304+P340-P312-P264-P270-P301+P312-P330-P501
Chemistry & industry
Upstream & downstream products
Downstream products
Additional notes
DefinitionChEBI: 3-Methylbutyraldehyde oxime is an aliphatic aldoxime.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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