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HCID 29980997Erstellt: 31. Oktober 2026

tert-butyl (3R)-3-methyl-1,4-diazepane-1-carboxylate

tert-butyl (R)-3-methyl-1,4-diazepane-1-carboxylate · (R)-tert-butyl 3-Methyl-1,4-diazepane-1-carboxylate · (R)-1-Boc-3-methyl-[1,4]diazepane · tert-Butyl (3R)-3-methyl-1,4-diazepane-1-carboxylate · 2-Methyl-2-propanyl(3R)-3-methyl-1,4-diazepane-1-carboxylate · tert-butyl (3R)-3-methyl-1,4-diazepane-1-carboxylate - [B22459] · (3R)-Hexahydro-3-methyl-1H-1,4-diazepine-1-carboxylic acid tert-butyl este · (3R)-Hexahydro-3-methyl-1H-1,4-diazepine-1-carboxylic acid tert-butyl ester

https://huagongshe.com/de/chemical/29980997

Molekülstruktur von tert-butyl (3R)-3-methyl-1,4-diazepane-1-carboxylate

Identifikatoren & physikalische Daten

CAS No.	223644-10-8
Summenformel	C11H22N2O2
Durchschnittliche Molmasse	214,3 g/mol
Monoisotopische Masse	214,16812795 g/mol
SMILES	C[C@@H]1CN(C(=O)OC(C)(C)C)CCCN1
InChIKey	GDTFCUXOVITPHU-SECBINFHSA-N
PubChem CID	29980997
EC No.	867-393-6

Chemische & physikalische Eigenschaften

XLogP	1,2
Polarare Oberfläche (TPSA)	41,6
H-Brücken-Donoren	1
H-Brücken-Akzeptoren	3
Frei drehbare Bindungen	2
Schwere Atome	15
Formalladung	0
Komplexität	223
Siedepunkt	288℃
Dichte	0.980
Flammpunkt	128℃
Lagerbedingungen	Keep in dark place,Sealed in dry,Room Temperature
InChI	InChI=1S/C11H22N2O2/c1-9-8-13(7-5-6-12-9)10(14)15-11(2,3)4/h9,12H,5-8H2,1-4H3/t9-/m1/s1
InChIKey	GDTFCUXOVITPHU-SECBINFHSA-N
SMILES	N1(C(OC(C)(C)C)=O)CCCN[C@H](C)C1

Sicherheit & Vorschriften

GHS-Einstufung	WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and Categories	Acute Tox. 4 (100%)
Alarmwort	Warnung
Gefahrenhinweise	Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H302

tert-butyl (3R)-3-methyl-1,4-diazepane-1-carboxylate

CAS No.

223644-10-8

Summenformel

C11H22N2O2

Durchschnittliche Molmasse

214,3 g/mol

Monoisotopische Masse

214,16812795 g/mol

SMILES

C[C@@H]1CN(C(=O)OC(C)(C)C)CCCN1

InChIKey

GDTFCUXOVITPHU-SECBINFHSA-N

PubChem CID

29980997

EC No.

867-393-6

Chemische & physikalische Eigenschaften

XLogP

1,2

Polarare Oberfläche (TPSA)

41,6

H-Brücken-Donoren

H-Brücken-Akzeptoren

Frei drehbare Bindungen

Schwere Atome

Formalladung

Komplexität

223

Siedepunkt

288℃

Dichte

0.980

Flammpunkt

128℃

Lagerbedingungen

Keep in dark place,Sealed in dry,Room Temperature

InChI

InChI=1S/C11H22N2O2/c1-9-8-13(7-5-6-12-9)10(14)15-11(2,3)4/h9,12H,5-8H2,1-4H3/t9-/m1/s1

InChIKey

GDTFCUXOVITPHU-SECBINFHSA-N

SMILES

N1(C(OC(C)(C)C)=O)CCCN[C@H](C)C1

Sicherheit & Vorschriften

GHS-Einstufung

WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard Classes and Categories

Acute Tox. 4 (100%)

Alarmwort

Warnung

Gefahrenhinweise

Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H302