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

HCID 86171
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Substructure searchFind similar structures

Basic information

CAS
119313-12-1
Standard SMILES
CCC(Cc1ccccc1)(C(=O)c1ccc(N2CCOCC2)cc1)N(C)C
InChIKey
UHFFVFAKEGKNAQ-UHFFFAOYSA-N
Molecular formula
C23H30N2O2
Average molar mass
366.5 g/mol
Monoisotopic mass
366.2307282

Names & identifiers

Preferred 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
English name
2-Benzyl-2-(dimethylamino)-4'-morpholinobutyrophenone
Molecular formula
C23H30N2O2
Molecular weight
366.5

Names & synonyms

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
Show more names
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

Database identifiers

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

Properties

Computed structural properties

XLogP
4.1
Topological polar surface area
32.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
7
Heavy atoms
27

Experimental & physicochemical properties

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]

Physicochemical properties

Melting point
116 · 116-119 °C (lit.)
Boiling point
528.8 · 528.8±50.0 °C(Predicted)
Density
1.094 · 1.094±0.06 g/cm3(Predicted)
vapor pressure
0 · 0-0.01Pa at 25-95℃
Flash point
230 °F · >230 °F
storage temp.
Sealed in dry,Room Temperature

Safety & regulation

GHS classification

GHS Classification · 6 items

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)

Hazard information

Regulatory Information · 6 items

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 items

Aquatic Acute 1 (99.7%)

Repr. 1B (35.3%)

Reproductive toxicity - category 1B

Reproductive toxicity - Category 1B

Reproductive toxicity - Category 2

Repr. 1B

Safety data

PPE
Eyeshields, Gloves
wgk
2
tsca
TSCA listed
rtecs
EL7755000
ridadr
UN 3077 9/PG 3
hs_code
29349990

Chemistry & industry

Uses & manufacturing

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 items

Printing Ink Manufacturing

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

Applications · 3 items

UsesDBMP can be used as a dopant to dope silicone elastomer for the formation of 3D biocompatible scaffolds. It can also be used in two photon polymerization for the micro-fabrication of 3D hydrogels for potential biomedical and tissue engineering applications.

UsesUV solidify ink and coating

General Description2-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.

Upstream & downstream products

Suppliers100 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
成都彼样生物科技有限公司18108052721 · [email protected]

Related reactions

16 records
New reaction record

Compound notes

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CAS 119313-12-1 2-Benzyl-2-(dimethylamino)-1-(4-(morpholin-4-yl)phenyl)butan-1-one (HCID 86171)｜Huagongshe