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HCID 392870Erstellt: 27. Oktober 2026

1-N-Boc-4-Piperidinecarboxylic acid methyl ester

1-TERT-BUTYL 4-METHYL PIPERIDINE-1,4-DICARBOXYLATE · tert-Butyl methyl piperidine-1,4-dicarboxylate · ic acid methyL · N-Boc-4-Methylpiperidine · N-boc-4-methylpiperidinate · N-Boc-Piperidine-4-carboxyL · N-Boc- Piperidine-4-carboxylate · Methyl-boc-piperidine-4-carboxylate

https://huagongshe.com/de/chemical/392870

Molekülstruktur von 1-N-Boc-4-Piperidinecarboxylic acid methyl ester

Identifikatoren & physikalische Daten

CAS No.	124443-68-1
Summenformel	C12H21NO4
Durchschnittliche Molmasse	243,3 g/mol
Monoisotopische Masse	243,14705815 g/mol
SMILES	COC(=O)C1CCN(C(=O)OC(C)(C)C)CC1
InChIKey	PTZNCCIULVXFIJ-UHFFFAOYSA-N
PubChem CID	392870
ChEMBL	CHEMBL2003081
EC No.	672-394-8
DTXSID	DTXSID20327847

Chemische & physikalische Eigenschaften

XLogP	1,5
Polarare Oberfläche (TPSA)	55,8
H-Brücken-Donoren	0
H-Brücken-Akzeptoren	4
Frei drehbare Bindungen	4
Schwere Atome	17
Formalladung	0
Komplexität	287
Schmelzpunkt	33.0 to 37.0 °C
Siedepunkt	307.4±35.0 °C(Predicted)
Dichte	1.094±0.06 g/cm3(Predicted)
Lagerbedingungen	Inert atmosphere,Room Temperature
Löslichkeit	soluble in Methanol
Aggregatzustand	powder to lump
pKa (Säurekonstante)	-2.29±0.40(Predicted)
Farbe	White to Light yellow
InChI	InChI=1S/C12H21NO4/c1-12(2,3)17-11(15)13-7-5-9(6-8-13)10(14)16-4/h9H,5-8H2,1-4H3
InChIKey	PTZNCCIULVXFIJ-UHFFFAOYSA-N
SMILES	N1(C(OC(C)(C)C)=O)CCC(C(OC)=O)CC1
CAS Datenbank	124443-68-1(CAS DataBase Reference)

Sicherheit & Vorschriften

GHS-Einstufung	WarningH315 (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 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Regulatorische Informationen	Status: Active Update: 16-02-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/33136
Hazard Classes and Categories	Skin Irrit. 2 (100%)
Zollcode	29333990
R-Sätze (R)	36/37/38
Gefahrensymbole	Xi
Sicherheitshinweise (S)	26-36
Gefahrenklasse	IRRITANT

1-N-Boc-4-Piperidinecarboxylic acid methyl ester

CAS No.

124443-68-1

Summenformel

C12H21NO4

Durchschnittliche Molmasse

243,3 g/mol

Monoisotopische Masse

243,14705815 g/mol

SMILES

COC(=O)C1CCN(C(=O)OC(C)(C)C)CC1

InChIKey

PTZNCCIULVXFIJ-UHFFFAOYSA-N

PubChem CID

392870

ChEMBL

CHEMBL2003081

EC No.

672-394-8

DTXSID

DTXSID20327847

Chemische & physikalische Eigenschaften

XLogP

1,5

Polarare Oberfläche (TPSA)

55,8

H-Brücken-Donoren

H-Brücken-Akzeptoren

Frei drehbare Bindungen

Schwere Atome

Formalladung

Komplexität

287

Schmelzpunkt

33.0 to 37.0 °C

Siedepunkt

307.4±35.0 °C(Predicted)

Dichte

1.094±0.06 g/cm3(Predicted)

Lagerbedingungen

Inert atmosphere,Room Temperature

Löslichkeit

soluble in Methanol

Aggregatzustand

powder to lump

pKa (Säurekonstante)

-2.29±0.40(Predicted)

Farbe

White to Light yellow

InChI

InChI=1S/C12H21NO4/c1-12(2,3)17-11(15)13-7-5-9(6-8-13)10(14)16-4/h9H,5-8H2,1-4H3

InChIKey

PTZNCCIULVXFIJ-UHFFFAOYSA-N

SMILES

N1(C(OC(C)(C)C)=O)CCC(C(OC)=O)CC1

CAS Datenbank

124443-68-1(CAS DataBase Reference)

Sicherheit & Vorschriften

GHS-Einstufung

WarningH315 (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 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Regulatorische Informationen

Status: Active Update: 16-02-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/33136

Hazard Classes and Categories

Skin Irrit. 2 (100%)

Zollcode

29333990

R-Sätze (R)

36/37/38

Gefahrensymbole

Sicherheitshinweise (S)

26-36

Gefahrenklasse

IRRITANT