CAS 95798-22-4 n-Cbz-3-hydroxypiperidine (HCID 561665)

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Basic information

CAS: 95798-22-4
Standard SMILES: O=C(OCc1ccccc1)N1CCCC(O)C1
InChIKey: NDGWBAFATMSBHZ-UHFFFAOYSA-N
Molecular formula: C13H17NO3
Average molar mass: 235.28 g/mol
Monoisotopic mass: 235.1208434

Names & identifiers

Preferred name: n-Cbz-3-hydroxypiperidine
IUPAC: benzyl 3-hydroxypiperidine-1-carboxylate
English name: 1-N-Cbz-3-hydroxy-piperidine
Molecular formula: C13H17NO3
Molecular weight: 235.28

Names & synonyms

95798-22-4n-cbz-3-hydroxypiperidineDTXSID60340111RefChem:363646DTXCID40291192benzyl 3-hydroxypiperidine-1-carboxylate1-N-Cbz-3-hydroxy-piperidine1-cbz-3-hydroxy-piperidineMFCD03839903R-1-CBZ-3-Hydroxy-piperidineS-1-CBZ-3-Hydroxy-piperidine1-N-CBZ-3-HYDRoxypipERIDINE

Show more names

BUTTPARK 99\04-581-Cbz-3-hydroxy-piperidine - [H12297]1-N-CBZ-3-HYDROXY-PIPERIDINE ISO 9001：2015 REACH3-HYDROXY-PIPERIDINE-1-CARBOXYLIC ACID BENZYL ESTERBENZYL 3-HYDROXYTETRAHYDRO-1(2H)-PYRIDINECARBOXYLATE

1-benzyloxycarbonyl-3-hydroxypiperidine1-PIPERIDINECARBOXYLIC ACID, 3-HYDROXY-, PHENYLMETHYL ESTERS-1-CBZ-3-Hydroxy-SCHEMBL24402821-benzyloxycarbonylpiperidine-3-olSBB066865AKOS009213742benzyl3-hydroxypiperidine-1-carboxylate

Database identifiers

CAS: 95798-22-4
PubChem CID: 561665
DTXSID: DTXSID60340111
EC Number: 675-861-4

Properties

Computed structural properties

XLogP: 1.5
Topological polar surface area: 49.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 17
Formal charge: 0
Complexity: 251

Physicochemical properties

Boiling point: 196 °C · 196 °C
Density: 1.22 · 1.220±0.06 g/cm3(Predicted)
storage temp.: Store at room temperature
pka: 14.72 · 14.72±0.20(Predicted)
Appearance: Light yellow to yellow Liquid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 335 · H335-H319-H315
Precautionary statements: 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): 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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H335-H319-H315
Precautionary statements: P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P