2-(ジメチルアミノ)-1-(4-モルホリノフェニル)-2-ベンジル-1-ブタノン

2-Benzyl-2-(dimethylamino)-1-(4-(morpholin-4-yl)phenyl)butan-1-one

HCID 86171
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基本情報

CAS
119313-12-1
標準SMILES
CCC(Cc1ccccc1)(C(=O)c1ccc(N2CCOCC2)cc1)N(C)C
InChIKey
UHFFVFAKEGKNAQ-UHFFFAOYSA-N
分子式
C23H30N2O2
平均分子量
366.5 g/mol
単同位体質量
366.2307282

名称と識別子

優先名称
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
現地名
2-(ジメチルアミノ)-1-(4-モルホリノフェニル)-2-ベンジル-1-ブタノン
英語名
2-Benzyl-2-(dimethylamino)-4'-morpholinobutyrophenone
分子式
C23H30N2O2
分子量
366.5

名称と別名

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
名称をさらに表示
1-ベンジル-1-(ジメチルアミノ)プロピル=4-モルホリノフェニル=ケトンα-(ジメチルアミノ)-α-ベンジル-4'-モルホリノブチロフェノンα-ベンジル-α-(ジメチルアミノ)-4'-(4-モルホリニル)-ブチロフェノン1-(4-モルホリノフェニル)-2-(ジメチルアミノ)-2-ベンジル-1-ブタノン2-ベンジル-2-(ジメチルアミノ)-1-(4-モルホリノフェニル)ブタン-1-オンα-ベンジル-α-(ジメチルアミノ)-4'-モルホリノブチロフェノンN,N-ジメチル-α-エチル-α-ベンジル-β-オキソ-4-(4-モルホリニル)ベンゼンエタンアミン2-(ジメチルアミノ)-2-ベンジル-1-(4-モルホリノフェニル)-1-ブタノン1-(4-モルホリノフェニル)-2-ベンジル-2-(ジメチルアミノ)ブタン-1-オンα-ベンジル-α-エチル-α-(ジメチルアミノ)-4'-モルホリノアセトフェノン2-ベンジル-2-(ジメチルアミノ)-1-(4-モルホリノフェニル)-1-ブタノン1-(4-モルホリノフェニル)-2-ベンジル-2-(ジメチルアミノ)-1-ブタノンイルガキュア3692-(ジメチルアミノ)-1-(4-モルホリノフェニル)-2-ベンジル-1-ブタノン1-(4-モルホリノフェニル)-2-(ジメチルアミノ)-2-ベンジルブタン-1-オン2-ベンジル-2-(ジメチルアミノ)-4-モルフォリノブチルフェノンイルガキュア 3692-ベンジル-2-(ジメチルアミノ)-4'-モルホリノブチロフェノン2-ベンジル-2-(ジメチルアミノ)-1-[4-(モルホリノ)フェニル]-1-ブタノン2-ベンジル-2-（N，N-ジメチルアミノ）-1-（4-モルホリノフェニル）ブタン-1-オン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

データベース識別子

CAS
119313-12-1
PubChem CID
86171
DTXSID
DTXSID5044786
ChEMBL
CHEMBL3187611
UNII
413O6RKS6B
EC Number
404-360-3、601-598-1
Nikkaji
J261.950D

物性

構造計算による物性

XLogP
4.1
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
27

実験および物理化学的性質

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]

物理化学的性質

融点
116 · 116-119 °C (lit.)
沸点
528.8 · 528.8±50.0 °C(Predicted)
比重(密度)
1.094 · 1.094±0.06 g/cm3(Predicted)
蒸気圧
0 · 0-0.01Pa at 25-95℃
闪点
230 °F · >230 °F
貯蔵温度
Sealed in dry,Room Temperature

化学的性質

化学的特性Light yellow solid

安全と法規制

GHS分類

GHS Classification · 6 件

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)

危険有害性情報

Regulatory Information · 6 件

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 · 6 件

Aquatic Acute 1 (99.7%)

Repr. 1B (35.3%)

Reproductive toxicity - category 1B

Reproductive toxicity - Category 1B

Reproductive toxicity - Category 2

Repr. 1B

安全データ

wgk
2
tsca
TSCA listed
rtecs
EL7755000
ridadr
UN 3077 9/PG 3
hs_code
29349990
risk_code
50/53

化学と産業

用途と製造

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 · 2 件

Printing Ink Manufacturing

1-Butanone, 2-(dimethylamino)-1-[4-(4-morpholinyl)phenyl]-2-(phenylmethyl)-: ACTIVE

応用分野 · 2 件

使用UV solidify ink and coating

一般的な説明2-Benzyl-2-(dimethylamino)-4′-morpholinobutyrophenone (DBMP) is a photoinitiator that acts at near UV and visible range. It can be incorporated into the polymeric matrix, which upon UV irradiation forms radicals by radical chain polymerization.

上流・下流製品情報

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