Basic information
- CAS
1153987-33-7- Standard SMILES
CCCCCCNC(=O)C1CCCNC1- InChIKey
DMJRQHBYFYECHJ-UHFFFAOYSA-N- Molecular formula
- C12H24N2O
- Average molar mass
- 212.33 g/mol
- Monoisotopic mass
- 212.18886339
Names & identifiers
- Preferred name
- N-hexylpiperidine-3-carboxamide
- IUPAC
- N-hexylpiperidine-3-carboxamide
- English name
- N-hexylpiperidine-3-carboxamide
- Molecular formula
- C12H24N2O
- Molecular weight
- 212.33
Names & synonyms
N-hexylpiperidine-3-carboxamide1153987-33-7DWB98733AKOS009602764EN300-61246Z4320987643-Piperidinecarboxamide, N-hexyl-
Database identifiers
- CAS
1153987-33-7- PubChem CID
- 43589709
- EC Number
- 154-608-7
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 41.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 182
Physicochemical properties
- Boiling point
- 377.8 · 377.8±31.0 °C(Predicted)
- Density
- 0.943 · 0.943±0.06 g/cm3(Predicted)
- pka
- 16.1 · 16.10±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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 CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers3 total
山东大有药物研发有限公司[email protected] 15165037910 · [email protected]
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
北京新研汇医药研发有限公司13969155946 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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