CAS 4606-65-9 Piperidin-3-ylmethanol (HCID 107308)

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Basic information

CAS: 4606-65-9
Standard SMILES: OCC1CCCNC1
InChIKey: VUNPWIPIOOMCPT-UHFFFAOYSA-N
Molecular formula: C6H13NO
Average molar mass: 115.17 g/mol
Monoisotopic mass: 115.09971404

Names & identifiers

Preferred name: Piperidin-3-ylmethanol
IUPAC: piperidin-3-ylmethanol
English name: 3-Piperidinemethanol
Molecular formula: C6H13NO
Molecular weight: 115.17

Names & synonyms

3-Piperidinemethanol4606-65-9Piperidin-3-ylmethanolEINECS 225-013-0VUNPWIPIOOMCPT-UHFFFAOYSA-DTXSID60871091RefChem:863486DTXCID00818763225-013-0InChI=1/C6H13NO/c8-5-6-2-1-3-7-4-6/h6-8H,1-5H23-(Hydroxymethyl)piperidine3-Hydroxymethylpiperidine

Show more names

1-ethoxycarbonylRARECHEM AM LA 00733-piperidine Methano3-Piperidinecarbinol3-Piperidinyl carbinol3- piperidinyl alcohol(3-PIPERIDINYL)METHANOL

Piperidin-3-Yl-Methanol(piperidin-3-yl)methanol3-piperidylmethanolpiperidine-3-methanol3-Piperidine MethanolMFCD000059973-Piperidinylmethanol3-piperdinemethanol

Database identifiers

CAS: 4606-65-9
PubChem CID: 107308
DTXSID: DTXSID60871091
EC Number: 225-013-0
Nikkaji: J236.355K

Properties

Computed structural properties

XLogP: -0.1
Topological polar surface area: 32.3 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 8
Formal charge: 0
Complexity: 65.5

Physicochemical properties

Melting point: 106 · 106-107°C
Boiling point: 106 · 106-107 °C3.5 mm Hg(lit.)
Density: 1.026 g/mL · 1.026 g/mL at 25 °C(lit.)
refractive index: 1.494 · 1.4940
Flash point: 230 °F · >230 °F
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
solubility: Chloroform (Slightly), DMSO (Slightly, Sonicated), Methanol (Slightly)
form: Liquid
pka: 14.93 · 14.93±0.10(Predicted)
color: Clear
Sensitive: Hygroscopic
BRN: 103058 · 103058
InChI: InChI=1S/C6H13NO/c8-5-6-2-1-3-7-4-6/h6-8H,1-5H2
InChIKey: VUNPWIPIOOMCPT-UHFFFAOYSA-N
SMILES: N1CCCC(CO)C1
CAS DataBase Reference: 4606 · 4606-65-9(CAS DataBase Reference)

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 4 notifications to the ECHA C&L Inventory.

Hazard information

Regulatory Information3-Piperidinemethanol: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazard Classes and CategoriesSkin Corr. 1B (100%)

Safety data

PPE: Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
wgk: 2
ridadr: UN 3263 8/PG 2
hs_code: 29333990
risk_code: 34
Signal word: Danger
Symbol(GHS): GHS05
hazard_code: C
safety_code: 26-36/37/39-45
hazard_class: 8
Storage Class: 8A - Combustible corrosive hazardous materials
packing_group: III
Hazard statements: H314
Limited Quantities: 1.0 L (0.3 gallons) (liquid) or 1 Kg (2.2 lbs) (solid)

Chemistry & industry

Applications · 2 items

Uses3-Piperidinemethanol can be used as reactants for synthesis of: CB2 receptor agonists for the treatment of chronic pain Spiroimidazolidinone NPC1L1 inhibitors Quorum sensing modulators Protein lysine methyltransferase G9a inhibitors P2Y12 antagonists for inhibition of platelet aggregation Soluble epoxide hydrolase inhibitors

General DescriptionThe standard molar energy of combustion of 3-Piperidinemethanol has been studied.