基本情報
- CAS
119344-86-4- 標準SMILES
CCC(Cc1ccc(C)cc1)(C(=O)c1ccc(N2CCOCC2)cc1)N(C)C- InChIKey
PUBNJSZGANKUGX-UHFFFAOYSA-N- 分子式
- C24H32N2O2
- 平均分子量
- 380.5 g/mol
- 単同位体質量
- 380.24637826
概要
See other relationships...
名称と識別子
- 優先名称
- 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
- 現地名
- 2(ジメチルアミノ)2(4メチルベンジル)1(4モルホリノフェニル)ブタン1オン
- 英語名
- PI379
- 分子式
- C24H32N2O2
- 分子量
- 380.52
名称と別名
名称をさらに表示
データベース識別子
- CAS
119344-86-4- PubChem CID
- 22019755
- DTXSID
DTXSID30869627- EC Number
- 438-340-0
- Nikkaji
- J1.834.765B
物性
構造計算による物性
- XLogP
- 4.5
- 極性表面積
- 32.8 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 4
- 回転可能結合数
- 7
- 重原子数
- 28
- 形式電荷
- 0
- 複雑度
- 487
実験および物理化学的性質
物理化学的性質
- 沸点
- 542 · 542.0±50.0 °C(Predicted)
- 比重(密度)
- 1.083 · 1.083
- 蒸気圧
- 0 Pa · 0Pa at 25℃
- 貯蔵温度
- 2 · 2-8°C, protect from light
- 溶解性
- 2.75 in · 2.75 in mg/100g standard fat at 20 ℃
- 酸解離定数(Pka)
- 6.74 · 6.74±0.50(Predicted)
- 水溶解度
- 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 データベース
- 119344 · 119344-86-4
- EPAの化学物質情報
- 1 · 1-Butanone, 2-(dimethylamino)-2-[(4-methylphenyl)methyl]-1-[4-(4-morpholinyl)phenyl]- (119344-86-4)
化学的性質
化学的特性Light yellow solid
安全と法規制
GHS分類
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)
危険有害性情報
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
安全データ
- tsca
- TSCA listed
化学と産業
用途と製造
General Manufacturing Information
Printing and Related Support Activities
1-Butanone, 2-(dimethylamino)-2-[(4-methylphenyl)methyl]-1-[4-(4-morpholinyl)phenyl]-: ACTIVE
応用分野
使用PI379 (Photoinitiator379) is a highly efficient ultraviolet (UV) initiator, mainly used in UV curing systems such as inks and coatings.
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