2-(4-Piperidyl)-2-propanol

HCID 5200321

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 22990-34-7
Standard SMILES: CC(C)(O)C1CCNCC1
InChIKey: IIXYTWTZMGUQPT-UHFFFAOYSA-N
Molecular formula: C8H17NO
Average molar mass: 143.23 g/mol
Monoisotopic mass: 143.13101416

Names & identifiers

Preferred name: 2-(4-Piperidyl)-2-propanol
IUPAC: 2-piperidin-4-ylpropan-2-ol
English name: 2-(4-PIPERIDYL)-2-PROPANOL
Molecular formula: C8H17NO
Molecular weight: 143.23

Names & synonyms

2-(4-Piperidyl)-2-propanolRefChem:458304678-445-02-(Piperidin-4-yl)propan-2-ol22990-34-72-piperidin-4-ylpropan-2-olMFCD067971592-(4-Piperidyl)isopropyl Alcohol4-Piperidinemethanol, alpha,alpha-dimethyl-2-(4-piperidyl)propan-2-ol2-(4-PIPERIDINYL)-2-PROPANOLSCHEMBL572174

Show more names

SKL229Omaveloxolone Impurity 82-(4-Piperidyl)-2-propanol>2-(4-PIPERIDYL)ISOPROPYL ALCOHOLa,a-DiMethyl-4-piperidineMethanol4-Piperidinemethanol, α,α-dimethyl-4-(1-Hydroxy-1-methylethyl)piperidine

DTXSID30409441STK689314AC-7185PB14473CS-00522132-Piperidin-4-yl-propan-2-olAMY197124-Piperidinemethanol, ?,?-dimethyl-

Database identifiers

CAS: 22990-34-7
PubChem CID: 5200321
DTXSID: DTXSID30409441
EC Number: 678-445-0
Nikkaji: J2.643.587K

Properties

Computed structural properties

XLogP: 0.5
Topological polar surface area: 32.3 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 10
Formal charge: 0
Complexity: 106

Physicochemical properties

Melting point: 136 °C · 136°C
Boiling point: 140 · 140-142 °C(Press: 25 Torr)
Density: 0.956 · 0.956±0.06 g/cm3(Predicted)
storage temp.: 2 · Storage temp. 2-8°C
pka: 15.08 · 15.08±0.29(Predicted)
Appearance: Off-white to yellow Solid
InChI: InChI=1S/C8H17NO/c1-8(2,10)7-3-5-9-6-4-7/h7,9-10H,3-6H2,1-2H3
InChIKey: IIXYTWTZMGUQPT-UHFFFAOYSA-N
SMILES: C(C1CCNCC1)(O)(C)C
CAS DataBase Reference: 22990 · 22990-34-7
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319
Precautionary statements: 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36/37/39
HS Code: 2933399990 · 2933399990

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

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

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+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.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

hs_code: 2933399990
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
safety_code: 26-36/37/39
Hazard statements: H315-H319
Precautionary statements: P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313