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P-Diethylaminoacetophenone

CAT: 0286-D19840Size: 5 gDry Ice: NoHazardous: No
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CAT#:0286-D19840Size:5 g
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CAS Number
5520-66-1
Pictogram
07 - Irritant
UDF Signal Word
Warning
MDL Number
MFCD00043651
Hazard Statement
H302 Harmful if swallowed; H312 Harmful in contact with skin; H315 Causes skin irritation; H320 Causes eye irritation; H332 Harmful if inhaled.
DOT Name
Not D.O.T.-Regulated
Precautions
P280 Wear protective gloves/protective clothing/eye protection/face protection; P301+P312 IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell; P302+P352 IF ON SKIN: wash with plenty of soap and water; P304+P340 IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing; P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing; P332+P313 IF SKIN irritation occurs: Get medical advice/attention.

Chemical Information

p-Diethylaminoacetophenone
CAS Number5520-66-1
PubChem CID138529
IUPAC Name1-[4-(diethylamino)phenyl]ethanone
Molecular FormulaC12H17NO
Molecular Weight191.27
XLogP2.8
Topological Polar Surface Area20.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Heavy Atom Count14
Formal Charge0
Complexity179
SMILES
CCN(CC)C1=CC=C(C=C1)C(=O)C
InChI
InChI=1S/C12H17NO/c1-4-13(5-2)12-8-6-11(7-9-12)10(3)14/h6-9H,4-5H2,1-3H3
InChIKey
HMIBQFXWSUBFTG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of p-Diethylaminoacetophenone
CAS: 5520-66-1
CID: 138529
Formula: C12H17NO
MW: 191.27
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight191.27
XLogP32.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass191.131014166
Monoisotopic Mass191.131014166
Topological Polar Surface Area20.3 Ų
Heavy Atom Count14
Formal Charge0
Complexity179
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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