Piperidine-1-propanol
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Basic information
- CAS
104-58-5- Standard SMILES
OCCCN1CCCCC1- InChIKey
PLRXAFVBCHEMGD-UHFFFAOYSA-N- Molecular formula
- C8H17NO
- Average molar mass
- 143.23 g/mol
- Monoisotopic mass
- 143.13101416
Names & identifiers
- Preferred name
- Piperidine-1-propanol
- IUPAC
- 3-piperidin-1-ylpropan-1-ol
- English name
- 1-Piperidinepropanol
- Molecular formula
- C8H17NO
- Molecular weight
- 143.23
Names & synonyms
1-Piperidinepropanol104-58-53-PiperidinopropanolPiperidine-1-propanol1-(3-Hydroxypropyl)piperidine3-(1-Piperidinyl)propanolgamma-Piperidinopropanolgamma-Piperidinopropanol [German]EINECS 203-216-5BRN 0001275DTXSID701462075-20-02-00160 (Beilstein Handbook Reference)
Show more names
AKOS BC-0904BUTTPARK 75\06-09Piperidinepropanol1-Piperidinepropano1-Piperidinopropanol3-PIPERIDINOPROPAN-1-OL
NSC 66531RefChem:863574DTXCID6068698203-216-53-(piperidin-1-yl)propan-1-ol3-piperidin-1-ylpropan-1-olMFCD000237813-Piperidino-1-propanol
Database identifiers
- CAS
104-58-5- PubChem CID
- 66032
- DTXSID
DTXSID70146207- UNII
- FHL88SZ8XT
- EC Number
- 203-216-5
- Nikkaji
- J182.181D
Properties
Computed structural propertiesFilling in
- XLogP
- 0.8
- Topological polar surface area
- 23.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 79.3
Physicochemical properties
- Boiling point
- 94 · 94-95 °C/0.5 mmHg (lit.)
- Density
- 0.944 g/mL · 0.944 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.4775(lit.)
- Flash point
- 208 °F · 208 °F
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- pka
- 15.12 · 15.12±0.10(Predicted)
- form
- liquid
- color
- Colourless to light yellow
- InChI
- InChI=1S/C8H17NO/c10-8-4-7-9-5-2-1-3-6-9/h10H,1-8H2
- InChIKey
- PLRXAFVBCHEMGD-UHFFFAOYSA-N
- SMILES
- N1(CCCO)CCCCC1
- CAS DataBase Reference
- 104 · 104-58-5(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- NIST Chemistry Reference
- 1 · 1-Piperidinepropanol(104-58-5)
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+H312+H332 (12%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]
P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 50 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (12%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- rtecs
- TN2414500
- hs_code
- 2933399990
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
Chemistry & industry
Applications
UsesReactant in: Mitsunobu reaction of intramolecular nitrile oxide-alkene cycloadditions1 Suzuki-coupling2Reactant for synthesis of: Histamine H3 receptor antagonists3 Protein lysine methyltransferase G9a inhibitors4 Serotonin-4 receptors antagonists5 Checkpoint kinase Chk2 inhibitors6
Uses1-Piperidinepropanol is used in preparation of Ionizable Amine lipids for lipid Nanoparticle compounds that deliver Nucleic Acids.
Upstream & downstream products
Upstream raw materials
Related reactions
60 records
Compound notes
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