CAS 24211-55-0 (S)-3-Hydroxypiperidine (HCID 6950221)

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Basic information

CAS: 24211-55-0
Standard SMILES: O[C@H]1CCCNC1
InChIKey: BIWOSRSKDCZIFM-YFKPBYRVSA-N
Molecular formula: C5H11NO
Average molar mass: 101.15 g/mol

Names & identifiers

Preferred name: (S)-3-Hydroxypiperidine
IUPAC: (3S)-piperidin-3-ol
English name: (S)-3-Hydroxypiperidine
Molecular formula: C5H11NO
Molecular weight: 101.15

Names & synonyms

24211-55-0(S)-3-HYDROXYPIPERIDINERefChem:408010967-503-3(S)-piperidin-3-ol(3S)-piperidin-3-ol3-Piperidinol, (3S)-MFCD08669819(3S)-3-PIPERIDINOL(S)-3-PIPERIDINOL8O9(3S)-3-Piperidinol; (S)-3-Hydroxypiperidine

Show more names

3-Piperidinol (3S)-8PZ6JTM3Z23-Hydroxypiperidine, (S)-SCHEMBL13432SCHEMBL467961(S)-(+)-3-hydroxypiperidineSCHEMBL23806613-Piperidinol, (S)-(-)-

Database identifiers

CAS: 24211-55-0
PubChem CID: 6950221
UNII: 8PZ6JTM3Z2
EC Number: 967-503-3
Nikkaji: J1.485.488F

Properties

Computed structural properties

XLogP: -0.3
Topological polar surface area: 32.3 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 7
Formal charge: 0
Complexity: 56

Physicochemical properties

Boiling point: 191.9 · 191.9±23.0 °C(Predicted)
Density: 1.016 · 1.016±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
pka: 14.91 · 14.91±0.20(Predicted)
Appearance: White to off-white Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 317 · H317-H319
Precautionary statements: 280 · P280-P305+P351+P338
HS Code: 2933399990 · 2933399990

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P264, P264+P265, P280, P302+P352, P305+P354+P338, P317, P321, P332+P317, and P362+P364 (click each P-code to see the statement)

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

Safety data

hs_code: 2933399990
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H317-H319
Precautionary statements: P280-P305+P351+P338

Chemistry & industry

Applications

Uses(3S)-3-Piperidinol-D4 is an intermediate used in the synthesis of Ibrutinib-d4 (I124971), which is the labeled analogue of Ibrutinib (I124970). Ibrutinib is a highly selective Bruton’s tyrosine kinase (Btk) irreversible inhibitor.