(1S,2R)-(-)-2-(Dibutylamino)-1-phenyl-1-propanol
Grundinformationen
- CAS
114389-70-7- Standard-SMILES
CCCCN(CCCC)[C@H](C)[C@@H](O)c1ccccc1- InChIKey
BRRGNOFUBFINSX-NVXWUHKLSA-N- Summenformel
- C17H29NO
- Durchschnittliche Molmasse
- 263,4 g/mol
- Monoisotopische Masse
- 263,22491455
Namen und Bezeichner
- Bevorzugter Name
- (1S,2R)-(-)-2-(Dibutylamino)-1-phenyl-1-propanol
- IUPAC
- (1S,2R)-2-(dibutylamino)-1-phenylpropan-1-ol
- Englischer Name
- (-)-alpha-[1-(Dibutylamino)ethyl]benzyl alcohol
- Summenformel
- C17H29NO
- Molmasse
- 263.42
Namen und Synonyme
(1S,2R)-(-)-2-(Dibutylamino)-1-phenyl-1-propanol(alphaS)-alpha-((1R)-1-(Dibutylamino)ethyl)benzenemethanol(alphaS)-alpha-[(1R)-1-(Dibutylamino)ethyl]benzenemethanolRefChem:393930624-782-3114389-70-7(1S,2R)-2-(Dibutylamino)-1-phenylpropan-1-ol(-)-alpha-[1-(Dibutylamino)ethyl]benzyl Alcohol(1S,2R)-2-(Dibutylamino)-1-phenyl-1-propanolMFCD00142695(1S,2R)-2-di-n-butylamino-1-phenyl-1-propanol(-)-N,N-Dibutylnorephedrin
Weitere Namen anzeigen
N,N-dibutyl-D-norephedrineDibutylaminophenylpropanol(1S,2R)-N,N-Dibutylnorephedrine(1S,2R)-(-)-N,N-Dibutylnorephedrin(-)-DBNE, N,N-Dibutyl-D-(-)-norephedrine(-)-α-[1-(Dibutylamino)ethyl]benzyl Alcohol
n,n-dibutylnorephedrineSCHEMBL1184689DTXSID10451509Benzenemethanol, alpha-[(1R)-1-(dibutylamino)ethyl]-, (alphaS)-AKOS015839719AS-69861SY108974D2129
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 4,2
- Polarare Oberfläche (TPSA)
- 23,5 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 9
- Schwere Atome
- 19
- Formalladung
- 0
- Komplexität
- 205
Physikochemische Eigenschaften
- Siedepunkt
- 170 °C2 · 170 °C2 mm Hg(lit.)
- Dichte
- 0.948 g/mL · 0.948 g/mL at 25 °C(lit.)
- Brechungsindex
- 20 · n20/D 1.502(lit.)
- Flammpunkt
- 230 °F · >230 °F
- storage temp.
- 2 · 2-8°C
- Aggregatzustand
- clear liquid
- pka
- 13.91 · 13.91±0.20(Predicted)
- Farbe
- Colorless to Light orange to Yellow
- InChI
- 1S/C17H29NO/c1-4-6-13-18(14-7-5-2)15(3)17(19)16-11-9-8-10-12-16/h8-12,15,17,19H,4-7,13-14H2,1-3H3/t15-,17-/m1/s1
- InChIKey
- BRRGNOFUBFINSX-NVXWUHKLSA-N
- SMILES
- CCCCN(CCCC)[C@H](C)[C@@H](O)c1ccccc1
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H315 (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 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Sicherheitsdaten
- F
- 10
- wgk
- 3
- hs_code
- 29221990
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
- Speicherklasse
- 10 - Combustible liquids
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
Chemie und Industrie
Anwendungen
VerwendenLigand for enantioselective addition of dialkylzinc to carbonyls and imines.
Anbieter34 Anbieter
北京华美互利生物化工010-56205725 · [email protected]
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阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
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上海隆盛化工有限公司58099637 13585536065 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
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