HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 688607Erstellt: 31. Oktober 2026
(3R)-2-[(tert-butoxy)carbonyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
BOC-D-TIC · BOC-(3R)-1 · (R)-N-BOC-1 · Boc-D-Tic-OH · Boc-D-Tic-Ooh · RARECHEM BK PT 0080 · BOC-D-TIC-OH USP/EP/BP · N-t-Butyloxycarbonyl-D-1
https://huagongshe.com/de/chemical/688607
Identifikatoren & physikalische Daten
| CAS No. | 115962-35-1 |
|---|
| Summenformel | C15H19NO4 |
|---|
| Durchschnittliche Molmasse | 277,31 g/mol |
|---|
| Monoisotopische Masse | 277,13140809 g/mol |
|---|
| SMILES | CC(C)(C)OC(=O)N1Cc2ccccc2C[C@@H]1C(=O)O |
|---|
| InChIKey | HFPVZPNLMJDJFB-GFCCVEGCSA-N |
|---|
| PubChem CID | 688607 |
|---|
| EC No. | 625-175-6 |
|---|
| DTXSID | DTXSID60350917 |
|---|
Chemische & physikalische Eigenschaften
| XLogP | 2,3 |
|---|
| Polarare Oberfläche (TPSA) | 66,8 |
|---|
| H-Brücken-Donoren | 1 |
|---|
| H-Brücken-Akzeptoren | 4 |
|---|
| Frei drehbare Bindungen | 3 |
|---|
| Schwere Atome | 20 |
|---|
| Formalladung | 0 |
|---|
| Komplexität | 388 |
|---|
| Schmelzpunkt | 122-123℃ |
|---|
| Siedepunkt | 420.18°C (rough estimate) |
|---|
| Dichte | 1.1311 (rough estimate) |
|---|
| Brechungsindex | 1.5080 (estimate) |
|---|
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
|---|
| pKa (Säurekonstante) | 3.88±0.20(Predicted) |
|---|
| CAS Datenbank | 115962-35-1(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 44 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 Irrit. 2 (100%) |
|---|
| Wassergefährdungsklasse (WGK) | 3 |
|---|
| Zollcode | 29334900 |
|---|
| R-Sätze (R) | 36/37/38 |
|---|
| Gefahrensymbole | Xi |
|---|
| Sicherheitshinweise (S) | 26 |
|---|
| Gefahrenklasse | IRRITANT |
|---|
![Molekülstruktur von (3R)-2-[(tert-butoxy)carbonyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid](/img/chemical/688607.png)