Basic information
- CAS
1902162-09-7- Standard SMILES
COC(=O)/C=C1\CCCCCN1- InChIKey
MDEQSBWUWZBGQO-BQYQJAHWSA-N- Molecular formula
- C9H15NO2
- Average molar mass
- 169.22 g/mol
- Monoisotopic mass
- 169.11027872
Names & identifiers
- Preferred name
- (Z)-methyl 2-(azepan-2-ylidene)acetate
- IUPAC
- methyl (2E)-2-(azepan-2-ylidene)acetate
Names & synonyms
1902162-09-7(Z)-Methyl 2-(azepan-2-ylidene)acetateRefChem:408700846-616-0Methyl2-(azepan-2-ylidene)acetate
Database identifiers
- CAS
1902162-09-7- PubChem CID
- 12377939
- EC Number
- 846-616-0
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 187
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]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, 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%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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