Benzyl 4-(hydroxymethyl)piperidine-1-carboxylate

HCID 736490CAS 122860-33-7

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Grundinformationen

Standard-SMILES: O=C(OCc1ccccc1)N1CCC(CO)CC1
InChIKey: LINIORCIRVAZSM-UHFFFAOYSA-N
Summenformel: C14H19NO3
Durchschnittliche Molmasse: 249,3 g/mol
Monoisotopische Masse: 249,13649347

Namen und Bezeichner

Bevorzugter Name: Benzyl 4-(hydroxymethyl)piperidine-1-carboxylate
IUPAC: benzyl 4-(hydroxymethyl)piperidine-1-carboxylate
Englischer Name: 1-Cbz-4-hydroxymethylpiperidine
Summenformel: C14H19NO3
Molmasse: 249.31

Namen und Synonyme

122860-33-7benzyl 4-(hydroxymethyl)piperidine-1-carboxylateDTXSID90353037RefChem:328495DTXCID90304100675-939-81-Cbz-4-hydroxymethylpiperidineN-Cbz-4-(hydroxymethyl)piperidinen-cbz-4-piperidinemethanol1-Piperidinecarboxylic acid, 4-(hydroxymethyl)-, phenylmethyl esterMFCD020944901-N-Cbz-hydroxymethyl-piperidine

Weitere Namen anzeigen

benzyl 4-(hydroxymethyl)piperidine-N-carboxylateZ-PIC(4)-OLZ-ISONIPECOTINOLBUTTPARK 75\50-51Z-ISONICOT(H6)-OLN-Cbz-4-(hydroxymethyLN- Cbz-4-piperidinemethanolN-CARBOBENZOXY-4-PIPECOLINOL

1-n-cbz-4-hydroxymethyl-piperidine1-cbz-4-hydroxy methyl piperidinebenzyl 4-(hydroxymethyl)tetrahydro-1(2h)-pyridinecarboxylate4-Hydroxymethyl-Piperidine-1-Carboxylic Acid Benzyl Ester4-hydroxymethylpiperidine-1-carboxylic acid benzyl ester1-cbz-4-hydroxymethyl-piperidinephenylmethyl 4-(hydroxymethyl)piperidinecarboxylate1-n-cbz-4-hydroxymethylpiperidine

Datenbank-Bezeichner

CAS: 122860-33-7
PubChem CID: 736490
DTXSID: DTXSID90353037
EC Number: 675-939-8

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,7
Polarare Oberfläche (TPSA): 49,8 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 4
Schwere Atome: 18
Formalladung: 0
Komplexität: 256

Physikochemische Eigenschaften

Siedepunkt: 396.4 · 396.4±25.0 °C(Predicted)
Dichte: 1.162 · 1.162±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
pka: 14.94 · 14.94±0.10(Predicted)
CAS Datenbank: 122860 · 122860-33-7(CAS DataBase Reference)

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 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

hs_code: 2933399990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36/37/39-37/39

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden1-N-Cbz-hydroxymethyl-piperidine is an intermediate used in the synthesis of benzoyloxyethylpiperidinylmethylamine as fluorescent antagonists for human 5-HT4 receptors. It is also used to prepare diaminobutane derivatives as potent Ca2+-Permeable AMPA receptor antagonists.