4-Ethylpiperidine
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Basic information
- CAS
3230-23-7- Standard SMILES
CCC1CCNCC1- InChIKey
KWHPWBXOLZTZMJ-UHFFFAOYSA-N- Molecular formula
- C7H15N
- Average molar mass
- 113.2 g/mol
- Monoisotopic mass
- 113.12044948
Names & identifiers
- Preferred name
- 4-Ethylpiperidine
- IUPAC
- 4-ethylpiperidine
- English name
- 4-ethylpiperidine
- Molecular formula
- C7H15N
- Molecular weight
- 113.2
Names & synonyms
4-Ethylpiperidine3230-23-7EINECS 221-766-4DTXSID60186036NSC 211473RefChem:522887DTXCID70108527221-766-4Piperidine, 4-ethyl-4-Ethyl-piperidineMFCD01872520NSC-211473
Show more names
4-Ethylpiperidine AldrichCPR4-ethylpiperidine(SALTDATA: FREE)
GDL85J4ENFSCHEMBL12614SCHEMBL60981SCHEMBL292165SCHEMBL3575484-Ethylpiperidine, AldrichCPRSCHEMBL4328788SCHEMBL16619685
Database identifiers
- CAS
3230-23-7- PubChem CID
- 76704
- DTXSID
DTXSID60186036- UNII
- GDL85J4ENF
- EC Number
- 221-766-4
- Nikkaji
- J77.329H
Properties
Computed structural propertiesFilling in
- XLogP
- 1.6
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 55.4
Experimental & physicochemical properties
SpringerMaterials PropertiesOptical coefficient
Physicochemical properties
- Boiling point
- 131.98 °C · 131.98°C (estimate)
- Density
- 0.8759 · 0.8759
- refractive index
- 1.4503 · 1.4503
- storage temp.
- 2 · 2-8°C(protect from light)
- form
- solid
- pka
- 10.7 · 10.70±0.10(Predicted)
- Appearance
- Colorless to light yellow Liquid
- InChI
- 1S/C7H15N/c1-2-7-3-5-8-6-4-7/h7-8H,2-6H2,1H3
- InChIKey
- KWHPWBXOLZTZMJ-UHFFFAOYSA-N
- SMILES
- CCC1CCNCC1
- FDA UNII
- 85 J4ENF · GDL85J4ENF
- UNSPSC Code
- 12352200 · 12352200
- Symbol(GHS)
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
Danger
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, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- wgk
- 3
- risk_code
- 22-37/38-41
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- hazard_code
- Xn
- safety_code
- 26-39
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H302-H315-H318-H335
- Hazard Classifications
- Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P280-P305+P351+P338
Related reactions
9 records
Compound notes
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