Basic information
- CAS
104-89-2- Standard SMILES
CCC1CCC(C)NC1- InChIKey
XOFNHZHCGBPVGJ-UHFFFAOYSA-N- Molecular formula
- C8H17N
- Average molar mass
- 127.23 g/mol
- Monoisotopic mass
- 127.13609954
Names & identifiers
- Preferred name
- 5-Ethyl-2-methylpiperidine
- IUPAC
- 5-ethyl-2-methylpiperidine
- English name
- 5-ETHYL-2-METHYLPIPERIDINE
- Molecular formula
- C8H17N
- Molecular weight
- 127.23
Names & synonyms
5-Ethyl-2-methylpiperidinePiperidine, 5-ethyl-2-methyl-5-Ethyl-2-pipecolineNSC 6119EINECS 203-249-5BRN 0079909DTXSID008704474-20-00-01622 (Beilstein Handbook Reference)RefChem:102548DTXCID20818169203-249-5XOFNHZHCGBPVGJ-UHFFFAOYSA-N
Show more names
5-Ethyl-2-methylpiperidine, mixture of diastereomers
104-89-2CopellidineCopellidin2-METHYL-5-ETHYLPIPERIDINE2-Pipecoline, 5-ethyl-3-Ethyl-6-methylpiperidineMFCD00023134(2R,5R)-5-ethyl-2-methylpiperidine
Database identifiers
- CAS
104-89-2- PubChem CID
- 7727
- DTXSID
DTXSID00870447- EC Number
- 203-249-5
- Nikkaji
- J126.028F
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 80.6
Physicochemical properties
- Melting point
- -1 °C · -1°C (estimate)
- Boiling point
- 156.06 °C · 156.06°C (estimate)
- Density
- 0.8455 · 0.8455 (estimate)
- refractive index
- 1.446 · 1.4460 (estimate)
- EPA Substance Registry System
- 5 · Piperidine, 5-ethyl-2-methyl- (104-89-2)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 271 · P271-P261-P280
- Hazard Codes
- Xi
- Hazard Note
- Irritant
- TSCA
- TSCA listed
- HS Code
- 2933399990 · 2933399990
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+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 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
- tsca
- TSCA listed
- hs_code
- 2933399990
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P271-P261-P280
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPiperidine, 5-ethyl-2-methyl-: INACTIVE
Suppliers3 total
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
南京合巨药业有限公司025-57027686 17372956142 · [email protected]
重庆卡兰医药有限公司[email protected]
Related reactions
6 records
Compound notes
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