Basic information
- CAS
13372-77-5- Standard SMILES
CC(C)=CCCC(C)=CC=NO- InChIKey
LXFKDMGMYAHNAQ-UHFFFAOYSA-N- Molecular formula
- C10H17NO
- Average molar mass
- 167.25 g/mol
- Monoisotopic mass
- 167.13101417
Names & identifiers
- Preferred name
- N-(3,7-dimethylocta-2,6-dienylidene)hydroxylamine
- IUPAC
- N-(3,7-dimethylocta-2,6-dienylidene)hydroxylamine
- English name
- 3,7-dimethylocta-2,6-dienal oxime
- Molecular formula
- C10H17NO
- Molecular weight
- 167.25
Names & synonyms
Citral oxime13372-77-5N-(3,7-dimethylocta-2,6-dienylidene)hydroxylamineDTXSID3044542N-(3,7-dimethylocta-2,6-dien-1-ylidene)hydroxylamineAI312094;NSC 640331orb1697780SCHEMBL3274058CHEMBL3186505LXFKDMGMYAHNAQ-UHFFFAOYSA-N(NZ)-N-[(2Z)-3,7-dimethylocta-2,6-dienylidene]hydroxylamineNS00024305
Show more names
AI312094AI3-12094AI3 12094Citraloxime3,7-Dimethyl-2,6-octadienal oxime3,7-dimethylocta-2,6-dienal oxime2,6-Octadienal, 3,7-dimethyl-, oxime
Database identifiers
- CAS
13372-77-5- PubChem CID
- 114644
- DTXSID
DTXSID3044542- ChEMBL
CHEMBL3186505- EC Number
- 236-447-5
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 32.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 198
Physicochemical properties
- Boiling point
- 110 · 110-114 °C(Press: 4 Torr)
- Density
- 0.86 · 0.86±0.1 g/cm3(Predicted)
- pka
- 11.21 · 11.21±0.28(Predicted)
- EPA Substance Registry System
- 2 · 2,6-Octadienal, 3,7-dimethyl-, oxime (13372-77-5)
- TSCA
- TSCA listed
Safety & regulation
Safety data
- tsca
- TSCA listed
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers5 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
北京百奥创新科技有限公司15522676233 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
Related reactions
2 records
Compound notes
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