Tert-butyl 1,4-diazepane-1-carboxylate

HCID 2756058
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Grundinformationen

CAS
112275-50-0
Standard-SMILES
CC(C)(C)OC(=O)N1CCCNCC1
InChIKey
WDPWEXWMQDRXAL-UHFFFAOYSA-N
Summenformel
C10H20N2O2
Durchschnittliche Molmasse
200,28 g/mol
Monoisotopische Masse
200,15247789

Namen und Bezeichner

Bevorzugter Name
Tert-butyl 1,4-diazepane-1-carboxylate
IUPAC
tert-butyl 1,4-diazepane-1-carboxylate
Englischer Name
1-Boc-hexahydro-1,4-diazepine
Summenformel
C10H20N2O2
Molmasse
200.28

Namen und Synonyme

tert-butyl 1,4-diazepane-1-carboxylateRefChem:891988628-955-4112275-50-01-Boc-homopiperazine1-Boc-hexahydro-1,4-diazepine1-(tert-butoxycarbonyl)homopiperazineMFCD00276987[1,4]diazepane-1-carboxylic acid tert-butyl esterBOC-HOMOPIPERAZINEt-butyl 1,4-diazepane-1-carboxylateF2145-0196
Weitere Namen anzeigen
tert-butyl 1,4-diazocane-1-carboxylateHPBOCBOC-HOPAZBOC-HOPIZBoc-HomoPizBoc-HoPaz*HCl
1-Boc-1,4-diazepanetert-butyl 1,4-diazaperhydroepinecarboxylateN-(t-Butyloxycarbonyl)-homopiperazine hydrochloride1,4-Diazepane, N1-BOC protectedn-boc homopiperazinen-boc-homopiperazine1-BOC-homopiperizine4-Boc-1,4-diazepane

Datenbank-Bezeichner

CAS
112275-50-0
PubChem CID
2756058
DTXSID
DTXSID30373214
EC Number
628-955-4
Nikkaji
J2.748.183C

Eigenschaften

Berechnete Struktureigenschaften

XLogP
0,8
Polarare Oberfläche (TPSA)
41,6 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
3
Frei drehbare Bindungen
2
Schwere Atome
14

Physikochemische Eigenschaften

Schmelzpunkt
143.4 °C · 143.4 °C
Siedepunkt
95 · 95-110 °C0.5 mm Hg(lit.)
Dichte
1.016 g/mL · 1.016 g/mL at 20 °C(lit.)
Brechungsindex
20 · n20/D 1.471(lit.)
Flammpunkt
230 °F · >230 °F
storage temp.
Keep in dark place,Sealed in dry,Room Temperature

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H314 (15.7%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H315 (84.3%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (84.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (82.4%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 51 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Corr. 1B (15.7%)；Skin Irrit. 2 (84.3%)；Eye Irrit. 2 (84.3%)；STOT SE 3 (82.4%)

Sicherheitsdaten

F
10-34
wgk
3
ridadr
2735
hs_code
29339900
risk_code
36/37/38
hazard_code
Xi

Chemie und Industrie

Anwendungen

Verwenden1-Boc-hexahydro-1,4-diazepine is a diazepine derivative used in the preparation of pharmaceutical compounds such as histamine H3-receptor antagonists and dipeptidyl peptidase IV (DPP-IV) inhibitors.

Vor- und nachgelagerte Produkte

Anbieter100 Anbieter

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
科瑞迪化学400-821-5857 021-64326257 · [email protected]

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