3,5-Dimethylpiperidin

3,5-Dimethylpiperidine

HCID 118259CAS 35794-11-7

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Grundinformationen

Standard-SMILES: CC1CNCC(C)C1
InChIKey: IDWRJRPUIXRFRX-UHFFFAOYSA-N
Summenformel: C7H15N
Durchschnittliche Molmasse: 113,2 g/mol
Monoisotopische Masse: 113,12044948

Namen und Bezeichner

Bevorzugter Name: 3,5-Dimethylpiperidine
IUPAC: 3,5-dimethylpiperidine
Lokaler Name: 3,5-Dimethylpiperidin
Englischer Name: 3,5-Dimethylpiperidine
Summenformel: C7H15N
Molmasse: 113.2

Namen und Synonyme

3,5-DimethylpiperidinePiperidine, 3,5-dimethyl-EINECS 252-730-6DTXSID80865790RefChem:91614DTXCID30814157252-730-6IDWRJRPUIXRFRX-UHFFFAOYSA-N35794-11-73,5-LupetidineMFCD00005996trans-3,5-dimethylpiperidine

Weitere Namen anzeigen

35LPT3,5-LupeptidineAKOS BBS-00003678DIMETHYLPIPERIDINE3,5-Dimethylpiperidi3,5-dimethyl-piperidinHEXAHYDRO-3,5-LUTIDINE

3alpha,5beta-Dimethylpiperidine3,5-Dimethylpiperidine, cis and trans32452-46-3piperidine, 3,5-dimethyl-, (3R,5R)-rel-(3R,5R)-3,5-dimethylpiperidine3,5-Dimethylpiperidine, cis + trans3,5-dimethylpiperdine3,5 dimethylpiperidine

Datenbank-Bezeichner

CAS: 35794-11-7
PubChem CID: 118259
DTXSID: DTXSID80865790
EC Number: 252-730-6
Nikkaji: J39.740G

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,5
Polarare Oberfläche (TPSA): 12 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 0
Schwere Atome: 8
Formalladung: 0
Komplexität: 62,8

Experimentelle und physikochemische Eigenschaften

Physical DescriptionLiquid

Physikochemische Eigenschaften

Siedepunkt: 144 °C · 144 °C(lit.)
Dichte: 0.853 g/mL · 0.853 g/mL at 25 °C(lit.)
Dampfdruck: 6.47 hPa · 6.47hPa at 25℃
Brechungsindex: 20 · n20/D 1.4454(lit.)
Flammpunkt: 91 °F · 91 °F
storage temp.: 2 · Keep in dark place,Inert atmosphere,2-8°C
Aggregatzustand: Liquid
pka: 10.52 · 10.52±0.10(Predicted)
Farbe: Clear colorless to light yellow
BRN: 102638 · 102638
InChI: InChI=1S/C7H15N/c1-6-3-7(2)5-8-4-6/h6-8H,3-5H2,1-2H3
InChIKey: IDWRJRPUIXRFRX-UHFFFAOYSA-N
SMILES: N1CC(C)CC(C)C1
LogP: 2.02 · 2.02
CAS Datenbank: 35794 · 35794-11-7(CAS DataBase Reference)
NIST chemische Informationen: 3 · Piperidine, 3,5-dimethyl-(35794-11-7)
EPA chemische Informationen: 3 · Piperidine, 3,5-dimethyl- (35794-11-7)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 52 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 2 Einträge

Piperidine, 3,5-dimethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Piperidine, 3,5-dimethyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: Active Update: 26-07-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/20777

Hazard Classes and CategoriesFlam. Liq. 3 (100%)

Sicherheitsdaten

wgk: 3
tsca: TSCA listed
ridadr: UN 1993 3/PG 3
hs_code: 29339900
risk_code: 10-36/37/38
hazard_code: Xi,F
safety_code: 16-26-36/37/39-37/39-36
hazard_class: 3
packing_group: III
Speicherklasse: 3 - Flammable liquids
Hazard Classifications: Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3

Chemie und Industrie

Verwendung und Herstellung

U.S. Production2023: 1,000,000 - <8,500,000 lb

Industry UsesIntermediate

General Manufacturing Information · 2 Einträge

Pharmaceutical and Medicine Manufacturing

Piperidine, 3,5-dimethyl-: ACTIVE

Anwendungen · 1 Eintrag

VerwendenReactant for synthesis of: Substituted bisphenol A derivatives as β-amyloid peptide aggregation inhibitors1 MMP-13 selective isonipecotamide α-sulfone hydroxamates2 Gem-diamines for active organocatalysts for biodiesel production3 Benzimidazole inhibitors of the antigen receptor-mediated NF-κB4 Reactant for Mannich reactions to form Ru(II) complexes5