2-Propen-1-one, 3-(dimethylamino)-1-(4-methylphenyl)-

HCID 730034
NotesReactions
Substructure searchFind similar structures

Basic information

CAS
18103-98-5
Standard SMILES
Cc1ccc(C(=O)C=CN(C)C)cc1
InChIKey
RRVBRKWQJVEFJN-UHFFFAOYSA-N
Molecular formula
C12H15NO
Average molar mass
189.25 g/mol
Monoisotopic mass
189.1153641

Names & identifiers

Preferred name
2-Propen-1-one, 3-(dimethylamino)-1-(4-methylphenyl)-
IUPAC
3-(dimethylamino)-1-(4-methylphenyl)prop-2-en-1-one
English name
3-(DIMETHYLAMINO)-1-(4-METHYLPHENYL)-2-PROPEN-1-ONE
Molecular formula
C12H15NO
Molecular weight
189.25

Names & synonyms

3-(dimethylamino)-1-(4-methylphenyl)prop-2-en-1-one3-(Dimethylamino)-1-(p-tolyl)prop-2-en-1-one2-Propen-1-one, 3-(dimethylamino)-1-(4-methylphenyl)-SCHEMBL7364598DTXSID00352596RRVBRKWQJVEFJN-UHFFFAOYSA-N3-dimethylamino-4'-methylacrylophenoneAKOS0173820923-dimethylamino-1-p-tolylprop-2-en-1-one3-(dimethylamino)-1-(4-methylphenyl)prop-2-ene-1-one3-(DIMETHYLAMINO)-1-(4-METHYLPHENYL)-2-PROPEN-1-ONE(E)-3-dimethylamino-1-(4-methylphenyl)prop-2-en-1-one
Show more names
(2E)-3-(Dimethylamino)-1-(4-methylphenyl)prop-2-en-1-one

Database identifiers

CAS
18103-98-5
PubChem CID
730034
DTXSID
DTXSID00352596

Properties

Computed structural properties

XLogP
2.3
Topological polar surface area
20.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
3
Heavy atoms
14

Physicochemical properties

Melting point
89 · 89-91 °C(Solv: ligroine (8032-32-4))
Boiling point
290.7 · 290.7±40.0 °C(Predicted)
Density
1.008 · 1.008±0.06 g/cm3(Predicted)
pka
6.46 · 6.46±0.70(Predicted)
HazardClass
IRRITANT

Safety & regulation

Safety data

hazard_class
IRRITANT

Chemistry & industry

Upstream & downstream products

Suppliers23 total

江苏艾康生物医药研发有限公司025-58851090 19370895928 · [email protected]
安徽勇晟医药科技有限公司181-3307-5798 18017383231 · [email protected]
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]

Related reactions

3 records
New reaction record

Compound notes

Loading…