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(E)-3-Dimethylamino-1-phenyl-propenone

(E)-3-Dimethylamino-1-phenyl-propenone - CAS 1131-80-2

Catalog:	BB050106
Product Name:	(E)-3-Dimethylamino-1-phenyl-propenone
CAS:	1131-80-2
Synonyms:	(2E)-3-(dimethylamino)-1-phenylprop-2-en-1-one; (E)-beta-(Dimethylamino)acrylophenone

Technical Data

Safety and Hazards

Computed Properties

Related CAS:	1201-93-0 (rac-isomer)
IUPAC Name:	(E)-3-(dimethylamino)-1-phenylprop-2-en-1-one
Description:	(E)-3-Dimethylamino-1-phenyl-propenone (CAS# 1131-80-2 ) is a useful research chemical.
Molecular Weight:	175.23
Molecular Formula:	C11H13NO
Canonical SMILES:	CN(C)C=CC(=O)C1=CC=CC=C1
InChI:	InChI=1S/C11H13NO/c1-12(2)9-8-11(13)10-6-4-3-5-7-10/h3-9H,1-2H3/b9-8+
InChI Key:	HUTKDPINCSJXAA-CMDGGOBGSA-N
Boiling Point:	260.0±32.0 °C (Predicted)
Melting Point:	91 °C
Purity:	≥ 95 %
Density:	1.022±0.06 g/cm³ (Predicted)

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Related Functional Groups

Alkenes

[35153-16-3]
(Z)-10-Tetradecenyl Acetate
[4984-01-4]
3,7-Dimethyl-1-octene
[78-70-6]
Linalool
[116-04-1]
β-Humulene
[1120-36-1]
1-Tetradecene
[692278-80-1]
3-Allyl-1-(4-ethoxyphenyl)-2-thioxoimidazolidin-4-one

Carbonyl Compounds

[51493-02-8]
N-Methyl-N-propylcarbamoyl Chloride
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[35153-16-3]
(Z)-10-Tetradecenyl Acetate
[55441-25-3]
1-(2-Cyanophenyl)urea
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[2168559-63-3]
2-(6-Methyl-2-pyridyl)acetic Acid Hydrochloride

Nitrogen Compounds

[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[1427004-19-0]
DBCO-PEG4-NHS ester
[32894-07-8]
Benzyl thioacetimidate hydrochloride
[51355-91-0]
1-(Chloromethyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[102388-00-1]
1-(Chloromethyl)-3-nitro-1H-pyrazole
[62838-59-9]
1-Cyclopentyl-1H-pyrazole

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P301+P317, P330, and P501
Signal Word:	Warning

Complexity:	190
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	1
Exact Mass:	175.099714038
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	175.099714038
Rotatable Bond Count:	3
Topological Polar Surface Area:	20.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1