Cyclohexanamine, N-[(4-iodo-1,3-benzodioxol-5-yl)methylene]-
Basic information
- CAS
58343-44-5- Standard SMILES
Ic1c(C=NC2CCCCC2)ccc2c1OCO2- InChIKey
BANKLVPEDHQCGY-UHFFFAOYSA-N- Molecular formula
- C14H16INO2
- Average molar mass
- 357.19 g/mol
- Monoisotopic mass
- 357.02258
Names & identifiers
- Preferred name
- Cyclohexanamine, N-[(4-iodo-1,3-benzodioxol-5-yl)methylene]-
- IUPAC
- N-cyclohexyl-1-(4-iodo-1,3-benzodioxol-5-yl)methanimine
Names & synonyms
Cyclohexanamine, N-[(4-iodo-1,3-benzodioxol-5-yl)methylene]-58343-44-5DTXSID90400035AKOS024419330(E)-N-Cyclohexyl-1-(4-iodo-2H-1,3-benzodioxol-5-yl)methanimineCYCLOHEXYL-(4-IODO-BENZO(1,3)DIOXOL-5-YLMETHYLENE)-AMINE
Database identifiers
- CAS
58343-44-5- PubChem CID
- 4156446
- DTXSID
DTXSID90400035- EC Number
- 148-536-5
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 30.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 304
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
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Related reactions
0 records
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Compound notes
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