Basic information
- CAS
14813-01-5- Standard SMILES
OC1CCCN(Cc2ccccc2)C1- InChIKey
UTTCOAGPVHRUFO-UHFFFAOYSA-N- Molecular formula
- C12H17NO
- Average molar mass
- 191.27 g/mol
- Monoisotopic mass
- 191.13101416
Names & identifiers
- Preferred name
- 1-Benzylpiperidin-3-ol
- IUPAC
- 1-benzylpiperidin-3-ol
- English name
- 1-Benzyl-3-piperidinol
- Molecular formula
- C12H17NO
- Molecular weight
- 191.27
Names & synonyms
1-Benzylpiperidin-3-ol14813-01-51-Benzyl-3-hydroxypiperidineEINECS 238-881-0NSC 111182DTXSID301309117RefChem:430038DTXCID80893230238-881-01-benzyl-3-piperidinolN-Benzyl-3-hydroxypiperidine3-Piperidinol, 1-(phenylmethyl)-
Show more names
1-benzyl-3-piperidol1-Benzyl-3-piperidin1-Bezyl-3-piperidinolBenidipine Impurity 8N-BENZYL-3-PIPERIDINOL1-BENZYL-PIPERIDIN-3-OL1-Benzoyl-3-piperidinol
1-N-Benzyl-3-hydroxy-piperidineMFCD00023734Benidipine Impurity FNSC111182CHEMBL1504199AB05871AC-5325SDCCGMLS-0065815.P001
Database identifiers
- CAS
14813-01-5- PubChem CID
- 85773
- DTXSID
DTXSID301309117- ChEMBL
CHEMBL1504199- EC Number
- 238-881-0
- Nikkaji
- J227.200H
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 23.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 166
Physicochemical properties
- Boiling point
- 140 · 140-142°C 6mm
- Density
- 1 · 1,056 g/cm3
- refractive index
- 20 · n20/D 1.549
- Flash point
- 230 °F · >230 °F
- storage temp.
- Inert atmosphere,Room Temperature
- solubility
- DMSO (Slightly), Methanol (Slightly)
- form
- clear liquid
- pka
- 14.82 · 14.82±0.20(Predicted)
- color
- Colorless to Light yellow
- Sensitive
- Hygroscopic
- BRN
- 135964 · 135964
- InChI
- InChI=1S/C12H17NO/c14-12-7-4-8-13(10-12)9-11-5-2-1-3-6-11/h1-3,5-6,12,14H,4,7-10H2
- InChIKey
- UTTCOAGPVHRUFO-UHFFFAOYSA-N
- SMILES
- N1(CC2=CC=CC=C2)CCCC(O)C1
- CAS DataBase Reference
- 14813 · 14813-01-5(CAS DataBase Reference)
- UNSPSC Code
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
H301 (89.1%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 46 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationStatus: Active Update: 27-08-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/31611
Hazard Classes and CategoriesAcute Tox. 3 (89.1%)
Safety data
- wgk
- 2
- ridadr
- UN 2811 6.1/PG 3
- hs_code
- 29333990
- risk_code
- 25-36/37/38
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- hazard_code
- T
- safety_code
- 26-45
- Hazard statements
- H301-H315-H319-H335
- REACH Registrations
- Active
- Precautionary statements
- P301+P310+P330-P302+P352-P305+P351+P338
Chemistry & industry
Applications
UsesReactant for bioresolution of tertiary amino ester protic ionic liquids using subtilisinReactant for synthesis of:Muscarinic M3 selective antagonistsRho kinase inhibitorsPiperidine derivatives for investigations into α-adrenoreceptor direct activation
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司
Related reactions
11 records
Compound notes
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