Tert-butyl 4-(chloromethyl)-4-(hydroxymethyl)piperidine-1-carboxylate

HCID 67411808

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Grundinformationen

CAS: 1312131-45-5
Standard-SMILES: CC(C)(C)OC(=O)N1CCC(CO)(CCl)CC1
InChIKey: CSLWIKIJFFEYPB-UHFFFAOYSA-N
Summenformel: C12H22ClNO3
Durchschnittliche Molmasse: 263,76 g/mol
Monoisotopische Masse: 263,1288213

Namen und Bezeichner

Bevorzugter Name: Tert-butyl 4-(chloromethyl)-4-(hydroxymethyl)piperidine-1-carboxylate
IUPAC: tert-butyl 4-(chloromethyl)-4-(hydroxymethyl)piperidine-1-carboxylate
Englischer Name: tert-butyl 4-(chloromethyl)-4-(hydroxymethyl)piperidine-1-carboxylate
Summenformel: C12H22ClNO3
Molmasse: 263.76

Namen und Synonyme

1312131-45-5tert-butyl 4-(chloromethyl)-4-(hydroxymethyl)piperidine-1-carboxylateRefChem:893839985-474-54-Chloromethyl-4-hydroxymethyl-piperidine-1-carboxylic acid tert-butyl esterMFCD23726559SCHEMBL2446921CSLWIKIJFFEYPB-UHFFFAOYSA-NAKOS027251281AS-73384DA-46187CS-0047252

Weitere Namen anzeigen

4-Chloromethyl-4-Hydroxymethyl-Piperidine-1-Carboxylic Acid Tert-Butyl Ester(WX630196)1-Piperidinecarboxylic acid, 4-(chloromethyl)-4-(hydroxymethyl)-, 1,1-dimethylethyl ester

1-Boc-4-chloromethyl-4-hydroxymethyl-piperidineEN300-7399838F469593tert-butyl4-(chloromethyl)-4-(hydroxymethyl)piperidine-1-carboxylate

Datenbank-Bezeichner

CAS: 1312131-45-5
PubChem CID: 67411808
EC Number: 985-474-5

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,6
Polarare Oberfläche (TPSA): 49,8 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 4
Schwere Atome: 17
Formalladung: 0
Komplexität: 267

Physikochemische Eigenschaften

Siedepunkt: 358.6 · 358.6±7.0 °C(Predicted)
Dichte: 1.126 · 1.126±0.06 g/cm3(Predicted)
pka: 14.94 · 14.94±0.10(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.