HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
tert-butyl N-(4-aminobutyl)carbamate
N-BOC-1,4-BUTANEDIAMINE · N-(TERT-BUTOXYCARBONYL)-1,4-DIAMINOBUTANE · N-BOC-1,4-DIAMINOBUTANE · N-(TERT-BUTOXYCARBONYL)-1,4-BUTANEDIAMINE · 1-BOC-AMINO-1,4-BUTANEDIAMINE · BOC-DAB HCL · AURORA KA-4397 · Boc-NH-(CH2)4-NH2
Identifikatoren & physikalische Daten
| CAS No. | 68076-36-8 |
|---|---|
| Summenformel | C9H20N2O2 |
| Durchschnittliche Molmasse | 188,27 g/mol |
| SMILES | CC(C)(C)OC(=O)NCCCCN |
| InChIKey | ZFQWJXFJJZUVPI-UHFFFAOYSA-N |
| PubChem CID | 4351 |
| ChEMBL | CHEMBL3356838 |
| EC No. | 629-298-6 |
Chemische & physikalische Eigenschaften
| XLogP | 0,7 |
|---|---|
| Polarare Oberfläche (TPSA) | 64,4 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 6 |
| Schwere Atome | 13 |
| Formalladung | 0 |
| Komplexität | 152 |
| Siedepunkt | 292.9±23.0 °C(Predicted) |
| Dichte | 0.984 g/mL at 20 °C(lit.) |
| Brechungsindex | n20/D 1.460 |
| Flammpunkt | 109 °C |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| Löslichkeit | Chloroform, DMSO, Methanol |
| pKa (Säurekonstante) | 12.86±0.46(Predicted) |
| Aggregatzustand | Liquid |
| Farbe | Clear colorless to light yellow |
| BRN | 1937878 |
| InChI | InChI=1S/C9H20N2O2/c1-9(2,3)13-8(12)11-7-5-4-6-10/h4-7,10H2,1-3H3,(H,11,12) |
| InChIKey | ZFQWJXFJJZUVPI-UHFFFAOYSA-N |
| SMILES | C(OC(C)(C)C)(=O)NCCCCN |
| CAS Datenbank | 68076-36-8(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH314 (87.5%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P264, P264+P265, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P321, P332+P317, P337+P317, P362+P364, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 8 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Corr. 1B (87.5%) |
| F | 10-34 |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 2735 8/PG 3 |
| Zollcode | 29241990 |
| R-Sätze (R) | 34-24 |
| Gefahrensymbole | C |
| Sicherheitshinweise (S) | 26-36/37/39-45 |
| Gefahrenklasse | 8Skin Corr. 1B |
| Verpackungsgruppe | Ⅲ |
| Lagerklasse | 8A - Combustible corrosive hazardous materials |
Anwendungen & Verwendung
Verwenden
suzuki reaction