Grundinformationen
- Standard-SMILES
CCC(Cc1ccccc1)(C(=O)c1ccc(N2CCOCC2)cc1)N(C)C- InChIKey
UHFFVFAKEGKNAQ-UHFFFAOYSA-N- Summenformel
- C23H30N2O2
- Durchschnittliche Molmasse
- 366,5 g/mol
- Monoisotopische Masse
- 366,2307282
Namen und Bezeichner
- Bevorzugter Name
- 2-Benzyl-2-(dimethylamino)-1-(4-(morpholin-4-yl)phenyl)butan-1-one
- IUPAC
- 2-benzyl-2-(dimethylamino)-1-(4-morpholin-4-ylphenyl)butan-1-one
- Englischer Name
- 2-Benzyl-2-(dimethylamino)-4'-morpholinobutyrophenone
- Summenformel
- C23H30N2O2
- Molmasse
- 366.5
Namen und Synonyme
119313-12-1Irgacure 3691-Butanone, 2-(dimethylamino)-1-[4-(4-morpholinyl)phenyl]-2-(phenylmethyl)-413O6RKS6BPHOTOINITIATOR 3692-Benzyl-2-(dimethylamino)-1-(4-(morpholin-4-yl)phenyl)butan-1-one2-Benzyl-2-(dimethylamino)-1-[4-(morpholin-4-yl)phenyl]butan-1-one2-Benzyl-2-dimethylamino-4'-morpholinobutyrophenoneJ261.950DEC 404-360-31-Butanone, 2-(dimethylamino)-1-(4-(4-morpholinyl)phenyl)-2-(phenylmethyl)-2-benzyl-2-n,n-dimethylamino-1-(4-morpholinophenyl)-1-butanone
Weitere Namen anzeigen
369Photoinitiator369UV-369IHT-PI 910Photoinitiator 9102-BENZYL-2-DIMETHYLAMINO-1-(4-MORPHOLINOPHENYL)-BUTANONE-1N,N-Dimethyl-α-ethyl-α-benzyl-β-oxo-4-(4-morpholinyl)benzeneethanamineIC-369APi-369
2-(DIMETHYLAMINO)-1-(4-MORPHOLINOPHENYL)-2-BENZYL-1-BUTANONE.ALPHA.-BENZYL-.ALPHA.-(DIMETHYLAMINO)-4-MORPHOLINOBUTYROPHENONERefChem:465635alpha-benzyl-alpha-(dimethylamino)-4-morpholinobutyrophenone404-360-32-Benzyl-2-dimethylamino-1-(4-morpholinophenyl)-1-butanone2-Benzyl-2-(dimethylamino)-4'-morpholinobutyrophenone2-benzyl-2-(dimethylamino)-1-(4-morpholinophenyl)butan-1-one
Datenbank-Bezeichner
- CAS
119313-12-1- PubChem CID
- 86171
- DTXSID
DTXSID5044786- ChEMBL
CHEMBL3187611- UNII
- 413O6RKS6B
- EC Number
- 404-360-3、601-598-1
- Nikkaji
- J261.950D
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 4,1
- Polarare Oberfläche (TPSA)
- 32,8 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 7
- Schwere Atome
- 27
- Formalladung
- 0
- Komplexität
- 461
Experimentelle und physikochemische Eigenschaften
Physical DescriptionLarge Crystals; Large Crystals; Liquid
Collision Cross Section195.7 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID5044786]
Physikochemische Eigenschaften
- Schmelzpunkt
- 116 · 116-119 °C (lit.)
- Siedepunkt
- 528.8 · 528.8±50.0 °C(Predicted)
- Dichte
- 1.094 · 1.094±0.06 g/cm3(Predicted)
- Dampfdruck
- 0 · 0-0.01Pa at 25-95℃
- Flammpunkt
- 230 °F · >230 °F
- storage temp.
- Sealed in dry,Room Temperature
- Löslichkeit
- 3240 in · 3240 in mg/100g standard fat at 20 ℃
- Aggregatzustand
- powder to crystal
- pka
- 7.04 · 7.04±0.50(Predicted)
- Farbe
- Light orange to Yellow to Green
- Wasserlöslichkeit
- 5.9 mg/L · 5.9mg/L at 20℃
- Kosmetik-Inhaltsstoffe Funktionen
- BINDING
- InChI
- 1S/C23H30N2O2/c1-4-23(24(2)3,18-19-8-6-5-7-9-19)22(26)20-10-12-21(13-11-20)25-14-16-27-17-15-25/h5-13H,4,14-18H2,1-3H3
- InChIKey
- UHFFVFAKEGKNAQ-UHFFFAOYSA-N
- SMILES
- CCC(Cc1ccccc1)(N(C)C)C(=O)c2ccc(cc2)N3CCOCC3
- LogP
- 2.91 at · 2.91 at 25℃
- CAS Datenbank
- 119313 · 119313-12-1(CAS DataBase Reference)
- EPA chemische Informationen
- 1 · 1-Butanone, 2-(dimethylamino)-1-[4-(4-morpholinyl)phenyl]-2-(phenylmethyl)- (119313-12-1)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H360D: May damage the unborn child [Danger Reproductive toxicity]
P203, P273, P280, P318, P391, P405, and P501 (click each P-code to see the statement)
Danger
H360 (35.3%): May damage fertility or the unborn child [Danger 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)-1-[4-(4-morpholinyl)phenyl]-2-(phenylmethyl)-
Hazard Traits - Reproductive Toxicity
1-Butanone, 2-(dimethylamino)-1-[4-(4-morpholinyl)phenyl]-2-(phenylmethyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Butanone, 2-(dimethylamino)-1-[4-(4-morpholinyl)phenyl]-2-(phenylmethyl)- 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: 15-10-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/1145
Substance: 2-benzyl-2-dimethylamino-4'-morpholinobutyrophenone
Other Safety InformationEvaluation - 1-Butanone, 2-(dimethylamino)-1-[4-(4-morpholinyl)phenyl]-2-(phenylmethyl)-
Hazard Classes and Categories
Aquatic Acute 1 (99.7%)
Repr. 1B (35.3%)
Reproductive toxicity - category 1B
Reproductive toxicity - Category 1B
Reproductive toxicity - Category 2
Repr. 1B
Sicherheitsdaten
- wgk
- 2
- tsca
- TSCA listed
- ridadr
- UN 3077 9/PG 3
- hs_code
- 29349990
- RTECS-Nr.
- EL7755000
- risk_code
- 50/53
- hazard_code
- N
- safety_code
- 60-61
- hazard_class
- 9
- packing_group
- III
- Speicherklasse
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard Classifications
- Aquatic Acute 1Aquatic Chronic 1Repr. 1B
Chemie und Industrie
Verwendung und Herstellung
U.S. Production2023: 1,000,000 - <2,500,000 lb
Consumer UsesNot Known or Reasonably Ascertainable
Industry UsesTanning agents not otherwise specified
General Manufacturing Information
Printing Ink Manufacturing
1-Butanone, 2-(dimethylamino)-1-[4-(4-morpholinyl)phenyl]-2-(phenylmethyl)-: ACTIVE
Anwendungen
VerwendenUV solidify ink and coating
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Vorgelagerte Rohstoffe
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