Basic information
- Standard SMILES
OCC1CCCCN1- InChIKey
PRAYXGYYVXRDDW-UHFFFAOYSA-N- Molecular formula
- C6H13NO
- Average molar mass
- 115.17 g/mol
- Monoisotopic mass
- 115.09971404
Names & identifiers
- Preferred name
- Piperidin-2-ylmethanol
- IUPAC
- piperidin-2-ylmethanol
- English name
- 2-(Hydroxymethyl)piperidine
- Molecular formula
- C6H13NO
- Molecular weight
- 115.17
Names & synonyms
2-Piperidinemethanol3433-37-2Piperidin-2-ylmethanol2-HydroxymethylpiperidineEINECS 222-333-2PRAYXGYYVXRDDW-UHFFFAOYSA-2PiperidinylmethanolPiperidin2ylmethanol2hydroxymethylpiperidineRefChem:863481222-333-2InChI=1/C6H13NO/c8-5-6-3-1-2-4-7-6/h6-8H,1-5H2
Show more names
2-Piperidine2-piperidinomethanol2-(Hydroxymethyl)pip2-Piperidinecarbinol(2-Piperidyl)methanolPiperidine-2-methanol2- piperidinyl alcohol
2-(Hydroxymethyl)piperidine2-PiperidinylmethanolPiperidin-2-Yl-Methanol(piperidin-2-yl)methanolMFCD00005987(rs)-2-piperidinemethanolDTXSID70871027STK067797
Database identifiers
- CAS
3433-37-2- PubChem CID
- 94263
- DTXSID
DTXSID70871027- EC Number
- 222-333-2
- Nikkaji
- J5.197G
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 65.5
Experimental & physicochemical properties
Chemical ClassesNitrogen Compounds -> Amino Alcohols, Other
Physical DescriptionSolid; [Aldrich MSDS]
Physicochemical properties
- Melting point
- 68 · 68-70 °C (lit.)
- Boiling point
- 100 · 100-102°C (6 mmHg)
- Density
- 0.9837 · 0.9837 (rough estimate)
- refractive index
- 1.4775 · 1.4775 (estimate)
- Flash point
- 68 · 68-70°C(lit.)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- solubility
- soluble in Methanol
- pka
- 15.08 · 15.08±0.10(Predicted)
- form
- Solid
- color
- White to pale yellow
- Water Solubility
- Slightly soluble in water.
- InChI
- InChI=1S/C6H13NO/c8-5-6-3-1-2-4-7-6/h6-8H,1-5H2
- InChIKey
- PRAYXGYYVXRDDW-UHFFFAOYSA-N
- SMILES
- N1CCCCC1CO
- CAS DataBase Reference
- 3433 · 3433-37-2(CAS DataBase Reference)
- NIST Chemistry Reference
- 2 · 2-Piperidinemethanol(3433-37-2)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
- RIDADR
- 3263 · 3263
- WGK Germany
- 3 · 3
- HazardClass
- 8 · 8
- PackingGroup
- III
- HS Code
- 29333990 · 29333990
- Storage Class
- 8 A · 8A - Combustible corrosive hazardous materials
- Hazard Classifications
- 1 Skin · Eye Dam. 1Skin Corr. 1B
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (92.7%): 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)
Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information2-Piperidinemethanol: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryA skin and strong eye irritant; [Aldrich MSDS]
Hazard Classes and CategoriesSkin Irrit. 2 (92.7%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- ridadr
- 3263
- hs_code
- 29333990
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- hazard_class
- 8
- Storage Class
- 8A - Combustible corrosive hazardous materials
- packing_group
- III
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Dam. 1Skin Corr. 1B
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Applications
Uses2-Piperidinemethanol was used in the synthesis of 3-phenyloctahydropyrido[2,1-c][1,4]oxazine hydrochloride and the 10R and 10S diastereomers.
Upstream & downstream products
Downstream products
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