1-Propylpiperidine
Basic information
- CAS
5470-02-0- Standard SMILES
CCCN1CCCCC1- InChIKey
VTDIWMPYBAVEDY-UHFFFAOYSA-N- Molecular formula
- C8H17N
- Average molar mass
- 127.23 g/mol
- Monoisotopic mass
- 127.13609954
Names & identifiers
- Preferred name
- 1-Propylpiperidine
- IUPAC
- 1-propylpiperidine
- English name
- 1-Propylpiperidine
- Molecular formula
- C8H17N
- Molecular weight
- 127.23
Names & synonyms
1-PROPYLPIPERIDINEPiperidine, 1-propyl-N-Propylpiperidine5470-02-0NSC 27434n-n-propylpiperidine1-n-propylpiperidineBRN 01029307W3CN3E15SNSC-27434UNII-7W3CN3E15SDTXSID80203158
Show more names
5-20-02-00027 (Beilstein Handbook Reference)RefChem:77194DTXCID80125649967-692-2VTDIWMPYBAVEDY-UHFFFAOYSA-NPropylpiperidinePiperidine, N-propyl-1-propyl-piperidine
Database identifiers
- CAS
5470-02-0- PubChem CID
- 21644
- DTXSID
DTXSID80203158- ChEMBL
CHEMBL2448946- UNII
- 7W3CN3E15S
- EC Number
- 967-692-2
- Nikkaji
- J50.682F
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 3.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 65
Experimental & physicochemical properties
SpringerMaterials Properties15N nuclear magnetic resonance spectrum
Dissociation Constants10.5
Physicochemical properties
- Melting point
- -1 °C · -1°C (estimate)
- Boiling point
- 152.1 °C · 152.1°C
- Density
- 0.8231 · 0.8231
- refractive index
- 1.4446 · 1.4446
- pka
- 9.84 · 9.84±0.10(Predicted)
- CAS DataBase Reference
- 5470 · 5470-02-0
- FDA UNII
- 7 W3CN3E15S · 7W3CN3E15S
- 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
Danger
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P319, P321, P363, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
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Related reactions
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Compound notes
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