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Vanillic acid diethylamide

CAT: 0286-V00700Size: 5 gDry Ice: NoHazardous: Yes
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CAT#:0286-V00700Size:5 g
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CAS Number
304-84-7
Synonyms
N, N-Diethyl-4-hydroxy-3-methoxybenzamide; Ethamivan; N, N-Diethylvanillamide
UN Code
UN2811
Pictogram
06 - Acute Toxicity; 07 - Irritant; 08 - Health Hazard
UDF Signal Word
Danger
MDL Number
MFCD00026727
Hazard Statement
H301 Toxic if swallowed; H312 Harmful in contact with skin; H315 Causes skin irritation; H319 Causes serious eye irritation; H332 Harmful if inhaled; H335 May cause respiratory irritation.
DOT Name
Toxic Solids, Organic, N.O.S.
DOT Classification
Class 6.1
Packaging Group
PGIII
Precautions
P261 Avoid breathing dust/fume/gas/mist/vapors/spray; P264 Wash skin thoroughly after handling; P270 Do not eat, drink, or smoke when using this product; P280 Wear protective gloves/protective clothing/eye protection/face protection; P301+P310 IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician; 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

Ethamivan

Etamivan is phenol substituted at C-2 and C-4 by a methoxy group and an N,N-diethylaminocarbonyl group respectively. A respiratory stimulant drug related to nikethamide, it has now fallen largely into disuse. It is a member of phenols and a member of methoxybenzenes.

CAS Number304-84-7
PubChem CID9363
IUPAC NameN,N-diethyl-4-hydroxy-3-methoxybenzamide
Molecular FormulaC12H17NO3
Molecular Weight223.27
XLogP2.1
Topological Polar Surface Area49.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count16
Formal Charge0
Complexity228
SMILES
CCN(CC)C(=O)C1=CC(=C(C=C1)O)OC
InChI
InChI=1S/C12H17NO3/c1-4-13(5-2)12(15)9-6-7-10(14)11(8-9)16-3/h6-8,14H,4-5H2,1-3H3
InChIKey
BQJODPIMMWWMFC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ethamivan
CAS: 304-84-7
CID: 9363
Formula: C12H17NO3
MW: 223.27
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight223.27
XLogP32.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass223.12084340
Monoisotopic Mass223.12084340
Topological Polar Surface Area49.8 Ų
Heavy Atom Count16
Formal Charge0
Complexity228
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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Alternative Products

CatalogName
V973580Vanillic acid diethylamide
AB1695Vanillic acid

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