(1-Methyl-3-piperidyl)methanol

HCID 97998CAS 7583-53-1

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Grundinformationen

Standard-SMILES: CN1CCCC(CO)C1
InChIKey: UGXQXVDTGJCQHR-UHFFFAOYSA-N
Summenformel: C7H15NO
Durchschnittliche Molmasse: 129,2 g/mol
Monoisotopische Masse: 129,1153641

Namen und Bezeichner

Bevorzugter Name: (1-Methyl-3-piperidyl)methanol
IUPAC: (1-methylpiperidin-3-yl)methanol
Lokaler Name: (1-Methyl-3-piperidyl)methanol
Englischer Name: 1-Methyl-3-piperidinemethanol
Summenformel: C7H15NO
Molmasse: 129.2

Namen und Synonyme

3-Piperidinemethanol, 1-methyl-(1-Methyl-3-piperidyl)methanolEINECS 231-488-5NSC 66541RefChem:392365231-488-51-Methyl-3-piperidinemethanol7583-53-1(1-methylpiperidin-3-yl)methanol1-Methylpiperidine-3-methanol230294-57-23-Hydroxymethyl-1-methylpiperidine

Weitere Namen anzeigen

1-Methy-3-piperidinemethanolN-Methylpiperidine-3-methanolN-METHYLPIPERIDINE-3-CARBINOLN-Methyl-3-piperidinecarbinolN-METHYL-3-PIPERIDINE METHANOLN-methyl-3-piperidinyl alcohol

MFCD00006497Hydroxymethyl-N-methylpiperidine1-Methyl-3-hydroxymethylpiperidineHydroxymethyl-?N-?methylpiperidine3-(Hydroxymethyl)-1-methylpiperidine(1-methyl-piperidin-3-yl)-methanolNSC665411-Methylpiperdin-3-ylmethanol

Datenbank-Bezeichner

CAS: 7583-53-1
PubChem CID: 97998
DTXSID: DTXSID80871194
EC Number: 231-488-5
Nikkaji: J62.784D

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,3
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: 140 · 140-145 °C
Dichte: 1.01 · 1.01
Brechungsindex: 1.4772 · 1.4772-1.4792
Flammpunkt: 94 °C · 94 °C
storage temp.: Sealed in dry,Room Temperature
Aggregatzustand: clear liquid
pka: 14.93 · 14.93±0.10(Predicted)
Farbe: Colorless to Yellow to Orange
BRN: 103713 · 103713
CAS Datenbank: 7583 · 7583-53-1(CAS DataBase Reference)
NIST chemische Informationen: 1 · 1-Methyl-3-piperidinemethanol(7583-53-1)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

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

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

Aggregated GHS information provided per 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information3-Piperidinemethanol, 1-methyl-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

hs_code: 29333990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 24/25-45-36/37/38-23
hazard_class: IRRITANT
packing_group: III

Chemie und Industrie

Anwendungen

VerwendenHydroxymethyl-N-methylpiperidine is used in the preparation of pyrimidines as FGFR3 tyrosine kinase inhibitors as well as for potent pyrazine c-Src inhibitors in the treatment of ischemic stroke.