4-Methoxypiperidine

HCID 77666

Notes Reactions

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Basic information

CAS: 4045-24-3
Standard SMILES: COC1CCNCC1
InChIKey: ZEYSHALLPAKUHG-UHFFFAOYSA-N
Molecular formula: C6H13NO
Average molar mass: 115.17 g/mol
Monoisotopic mass: 115.09971404

Names & identifiers

Preferred name: 4-Methoxypiperidine
IUPAC: 4-methoxypiperidine
English name: 4-Methoxypiperidine
Molecular formula: C6H13NO
Molecular weight: 115.17

Names & synonyms

4-Methoxypiperidine4045-24-3Piperidine, 4-methoxy-TQT8YK55HTEINECS 223-742-9DTXSID80193464RefChem:99671DTXCID90115955223-742-94-Methoxy-piperidineMFCD04115010F2158-0858

Show more names

4-methoxy-1l2-piperidineEOS-624534-MethoxyPiperazine4-Methoxypiperidine, 97+%4-METHOXY-PIPERIDINE >98%4-METHOXYPHENYLPHOSPHONICACID4-methoxypiperidine(SALTDATA: HCl)

4-methoxypiperdine4-methoxy piperidine4-methoxyl piperidineUNII-TQT8YK55HTSCHEMBL8268SCHEMBL128259SCHEMBL1263684SCHEMBL1297474

Database identifiers

CAS: 4045-24-3
PubChem CID: 77666
DTXSID: DTXSID80193464
UNII: TQT8YK55HT
EC Number: 223-742-9
Nikkaji: J217.858C

Properties

Computed structural properties

XLogP: 0.2
Topological polar surface area: 21.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 8
Formal charge: 0
Complexity: 59

Physicochemical properties

Boiling point: 44 °C/6.8mm · 44°C/6.8mm
Density: 0.93 · 0.93
storage temp.: 2 · 2-8°C(protect from light)
form: Liquid
pka: 9.83 · 9.83±0.10(Predicted)
color: Clear
InChI: InChI=1S/C6H13NO/c1-8-6-2-4-7-5-3-6/h6-7H,2-5H2,1H3
InChIKey: ZEYSHALLPAKUHG-UHFFFAOYSA-N
SMILES: N1CCC(OC)CC1
CAS DataBase Reference: 4045 · 4045-24-3(CAS DataBase Reference)
FDA UNII: 8 YK55HT · TQT8YK55HT
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
Hazard Codes: Xi,Xn
Risk Statements: 22 · 22-20/21/22
Safety Statements: 23 · 23-24/25
RIDADR: 3267 · 3267
HS Code: 29339900 · 29339900

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (93.3%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 45 reports by companies from 7 notifications to the ECHA C&L Inventory.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (93.3%)

Safety data

ridadr: 3267
hs_code: 29339900
risk_code: 22-20/21/22
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi,Xn
safety_code: 23-24/25
Hazard statements: H315-H319
Precautionary statements: P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313