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HCID 11062891Erstellt: 27. Oktober 2026

tert-Butyl N-(2-oxiranylmethyl)carbamate

N-Boc-1-(oxiran-2-yl)methanamine · N-BOC-amino-methyl-ethyl-eneoxide · tert-Butyl N-(Oxiran-2-ylmethyl)carbamate · tert-Butyl N-(2-oxiranylMethyl)carbaMate 97% · tert-Butyl N-(2-oxiranylmethyl)carbamate · Carbamic acid,N-(2-oxiranylmethyl)-, 1,1-dimethylethyl ester · Carbamic acid, (oxiranylmethyl)-, 1,1-dimethylethyl ester (9CI)

https://huagongshe.com/de/chemical/11062891

Molekülstruktur von tert-Butyl N-(2-oxiranylmethyl)carbamate

Identifikatoren & physikalische Daten

CAS No.	115198-80-6
Summenformel	C8H15NO3
Durchschnittliche Molmasse	173,21 g/mol
SMILES	CC(C)(C)OC(=O)NCC1CO1
InChIKey	ZBBGKXNNTNBRBH-UHFFFAOYSA-N
PubChem CID	11062891
EC No.	624-784-4

Chemische & physikalische Eigenschaften

XLogP	0,6
Polarare Oberfläche (TPSA)	50,9
H-Brücken-Donoren	1
H-Brücken-Akzeptoren	3
Frei drehbare Bindungen	4
Schwere Atome	12
Formalladung	0
Komplexität	174
Schmelzpunkt	48 °C
Siedepunkt	262.9±13.0 °C(Predicted)
Dichte	1.041 g/mL at 25 °C(lit.)
Brechungsindex	n20/D 1.4500(lit.)
Flammpunkt	>230 °F
pKa (Säurekonstante)	12.45±0.46(Predicted)
InChI	1S/C8H15NO3/c1-8(2,3)12-7(10)9-4-6-5-11-6/h6H,4-5H2,1-3H3,(H,9,10)
InChIKey	ZBBGKXNNTNBRBH-UHFFFAOYSA-N
SMILES	CC(C)(C)OC(=O)NCC1CO1
CAS Datenbank	115198-80-6

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, 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 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and Categories	Acute Tox. 4 (100%)
Wassergefährdungsklasse (WGK)	3
R-Sätze (R)	22-36/37/38
Gefahrensymbole	Xn
Sicherheitshinweise (S)	26-36
Lagerklasse	10 - Combustible liquids
Gefahrenklasse	Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3

tert-Butyl N-(2-oxiranylmethyl)carbamate

CAS No.

115198-80-6

Summenformel

C8H15NO3

Durchschnittliche Molmasse

173,21 g/mol

SMILES

CC(C)(C)OC(=O)NCC1CO1

InChIKey

ZBBGKXNNTNBRBH-UHFFFAOYSA-N

PubChem CID

11062891

EC No.

624-784-4

Chemische & physikalische Eigenschaften

XLogP

0,6

Polarare Oberfläche (TPSA)

50,9

H-Brücken-Donoren

H-Brücken-Akzeptoren

Frei drehbare Bindungen

Schwere Atome

Formalladung

Komplexität

174

Schmelzpunkt

48 °C

Siedepunkt

262.9±13.0 °C(Predicted)

Dichte

1.041 g/mL at 25 °C(lit.)

Brechungsindex

n20/D 1.4500(lit.)

Flammpunkt

>230 °F

pKa (Säurekonstante)

12.45±0.46(Predicted)

InChI

1S/C8H15NO3/c1-8(2,3)12-7(10)9-4-6-5-11-6/h6H,4-5H2,1-3H3,(H,9,10)

InChIKey

ZBBGKXNNTNBRBH-UHFFFAOYSA-N

SMILES

CC(C)(C)OC(=O)NCC1CO1

CAS Datenbank

115198-80-6

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

Hazard Classes and Categories

Acute Tox. 4 (100%)

Wassergefährdungsklasse (WGK)

R-Sätze (R)

22-36/37/38

Gefahrensymbole

Sicherheitshinweise (S)

26-36

Lagerklasse

10 - Combustible liquids

Gefahrenklasse

Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3