1-Methyl-2-piperidinmethanol

1-Methyl-2-piperidinemethanol

HCID 89394CAS 20845-34-5

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Grundinformationen

Standard-SMILES: CN1CCCCC1CO
InChIKey: HXXJMMLIEYAFOZ-UHFFFAOYSA-N
Summenformel: C7H15NO
Durchschnittliche Molmasse: 129,2 g/mol
Monoisotopische Masse: 129,1153641

Namen und Bezeichner

Bevorzugter Name: 1-Methyl-2-piperidinemethanol
IUPAC: (1-methylpiperidin-2-yl)methanol
Lokaler Name: 1-Methyl-2-piperidinmethanol
Englischer Name: 1-Methyl-2-piperidinemethanol
Summenformel: C7H15NO
Molmasse: 129.2

Namen und Synonyme

1-Methyl-2-piperidinemethanol20845-34-52-Piperidinemethanol, 1-methyl-NSC 45464DTXSID301307492EINECS 244-078-6RefChem:434080DTXCID908721572-(Hydroxymethyl)-N-methylpiperidine244-078-6(1-methylpiperidin-2-yl)methanol1-Methylpiperidine-2-methanol

Weitere Namen anzeigen

2-(Hydroxymethyl)Methyl-2-piperidineMethaN-Methylpiperidine-2-carbinolN-Methyl-2-piperidineMethanolN-Methylpiperidine-2-methanolN-Methyl-2-piperidinecarbinol

MFCD000064942-Hydroxymethyl-1-methylpiperidine(1-methyl-2-piperidyl)methanol1-Methyl-2-hydroxymethylpiperidine(1-methyl-2-piperidyl)methan-1-ol2-hydroxymethyl-N-methylpiperidineNSC454641-methyl-2piperidinemethanol

Datenbank-Bezeichner

CAS: 20845-34-5
PubChem CID: 89394
DTXSID: DTXSID301307492
EC Number: 244-078-6
Nikkaji: J149.933E

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,5
Polarare Oberfläche (TPSA): 23,5 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 9
Formalladung: 0
Komplexität: 85

Physikochemische Eigenschaften

Siedepunkt: 79 · 79-80 °C/7 mmHg (lit.)
Dichte: 0.984 g/mL · 0.984 g/mL at 25 °C (lit.)
Brechungsindex: 20 · n20/D 1.4823(lit.)
Flammpunkt: 178 °F · 178 °F
storage temp.: Sealed in dry,Room Temperature
Löslichkeit: Dichloromethane, Methanol
Aggregatzustand: Liquid
pka: 15.08 · 15.08±0.10(Predicted)
Farbe: Clear brown
BRN: 103612 · 103612
InChI: InChI=1S/C7H15NO/c1-8-5-3-2-4-7(8)6-9/h7,9H,2-6H2,1H3
InChIKey: HXXJMMLIEYAFOZ-UHFFFAOYSA-N
SMILES: N1(C)CCCCC1CO
CAS Datenbank: 20845 · 20845-34-5(CAS DataBase Reference)
NIST chemische Informationen: 1 · 1-Methyl-2-piperidinemethanol(20845-34-5)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H227 (16.7%): Combustible liquid [Warning Flammable liquids]

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

Aggregated GHS information provided per 6 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information2-(Hydroxymethyl)-N-methylpiperidine: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesFlam. Liq. 4 (16.7%)

Sicherheitsdaten

wgk: 3
hs_code: 29333999
risk_code: 36/37/38
hazard_code: Xi
safety_code: 24/25

Chemie und Industrie

Anwendungen

Verwenden1-Methyl-2-piperidinemethanol can be used in the preparation of substances for treatment of dermatological conditions and skin protection.