Grundinformationen
- Standard-SMILES
CCC(Cc1ccc(C)cc1)(C(=O)c1ccc(N2CCOCC2)cc1)N(C)C- InChIKey
PUBNJSZGANKUGX-UHFFFAOYSA-N- Summenformel
- C24H32N2O2
- Durchschnittliche Molmasse
- 380,5 g/mol
- Monoisotopische Masse
- 380,24637826
Überblick
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Namen und Bezeichner
- Bevorzugter Name
- 1-Butanone, 2-(dimethylamino)-2-[(4-methylphenyl)methyl]-1-[4-(4-morpholinyl)phenyl]-
- IUPAC
- 2-(dimethylamino)-2-[(4-methylphenyl)methyl]-1-(4-morpholin-4-ylphenyl)butan-1-one
- Englischer Name
- PI379
- Summenformel
- C24H32N2O2
- Molmasse
- 380.52
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
119344-86-4- PubChem CID
- 22019755
- DTXSID
DTXSID30869627- EC Number
- 438-340-0
- Nikkaji
- J1.834.765B
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 4,5
- Polarare Oberfläche (TPSA)
- 32,8 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 7
- Schwere Atome
- 28
- Formalladung
- 0
- Komplexität
- 487
Experimentelle und physikochemische Eigenschaften
Physikochemische Eigenschaften
- Siedepunkt
- 542 · 542.0±50.0 °C(Predicted)
- Dichte
- 1.083 · 1.083
- Dampfdruck
- 0 Pa · 0Pa at 25℃
- storage temp.
- 2 · 2-8°C, protect from light
- Löslichkeit
- 2.75 in · 2.75 in mg/100g standard fat at 20 ℃
- pka
- 6.74 · 6.74±0.50(Predicted)
- Wasserlöslichkeit
- 1.9 mg/L · 1.9mg/L at 20℃
- InChI
- InChI=1S/C24H32N2O2/c1-5-24(25(3)4,18-20-8-6-19(2)7-9-20)23(27)21-10-12-22(13-11-21)26-14-16-28-17-15-26/h6-13H,5,14-18H2,1-4H3
- InChIKey
- PUBNJSZGANKUGX-UHFFFAOYSA-N
- SMILES
- C(C1=CC=C(N2CCOCC2)C=C1)(=O)C(N(C)C)(CC1=CC=C(C)C=C1)CC
- LogP
- 4.1 at · 4.1 at 25℃
- CAS Datenbank
- 119344 · 119344-86-4
- EPA chemische Informationen
- 1 · 1-Butanone, 2-(dimethylamino)-2-[(4-methylphenyl)methyl]-1-[4-(4-morpholinyl)phenyl]- (119344-86-4)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H360Df: May damage the unborn child; Suspected of damaging fertility [Danger Reproductive toxicity]
P203, P273, P280, P318, P391, P405, and P501 (click each P-code to see the statement)
Warning
H361 (65.6%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity]
P203, P273, P280, P318, P391, P405, and P501 (click each P-code to see the statement)
Gefahrenhinweise
Regulatory Information
Chemical: 1-Butanone, 2-(dimethylamino)-2-[(4-methylphenyl)methyl]-1-[4-(4-morpholinyl)phenyl]-
Hazard Traits - Reproductive Toxicity
1-Butanone, 2-(dimethylamino)-2-[(4-methylphenyl)methyl]-1-[4-(4-morpholinyl)phenyl]- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Butanone, 2-(dimethylamino)-2-[(4-methylphenyl)methyl]-1-[4-(4-morpholinyl)phenyl]- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Status: Active Update: 09-02-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/15616
Substance: 2-(dimethylamino)-2-[(4-methylphenyl)methyl]-1-[4-(morpholin-4-yl)phenyl]butan-1-one
Hazard Classes and Categories
Repr. 2 (65.6%)
Reproductive toxicity - Category 1B
Repr. 1B
Sicherheitsdaten
- tsca
- TSCA listed
Chemie und Industrie
Verwendung und Herstellung
General Manufacturing Information
Printing and Related Support Activities
1-Butanone, 2-(dimethylamino)-2-[(4-methylphenyl)methyl]-1-[4-(4-morpholinyl)phenyl]-: ACTIVE
Anwendungen
VerwendenPI379 (Photoinitiator379) is a highly efficient ultraviolet (UV) initiator, mainly used in UV curing systems such as inks and coatings.
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