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P-Aminoethylbenzene

CAT: 0286-A21560-01Size: 25 gDry Ice: NoHazardous: Yes
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CAT#:0286-A21560-01Size:25 g
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CAS Number
589-16-2
Synonyms
4-Ethylaniline
UN Code
UN2810
Pictogram
06 - Acute Toxicity; 07 - Irritant; 09 - Environmental hazard
UDF Signal Word
Danger
MDL Number
MFCD00007921
Hazard Statement
H301 Toxic if swallowed; H311 Toxic in contact with skin; H315 Causes skin irritation; H319 Causes serious eye irritation; H332 Harmful if inhaled; H335 May cause respiratory irritation; H402 Harmful to aquatic life.
DOT Name
Toxic, Liquids, 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; P273 Avoid release to the environment; 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

4-Ethylaniline
CAS Number589-16-2
PubChem CID11504
IUPAC Name4-ethylaniline
Molecular FormulaC8H11N
Molecular Weight121.18
XLogP2
Topological Polar Surface Area26
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count9
Formal Charge0
Complexity72
SMILES
CCC1=CC=C(C=C1)N
InChI
InChI=1S/C8H11N/c1-2-7-3-5-8(9)6-4-7/h3-6H,2,9H2,1H3
InChIKey
HRXZRAXKKNUKRF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Ethylaniline
CAS: 589-16-2
CID: 11504
Formula: C8H11N
MW: 121.18
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight121.18
XLogP32
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass121.089149355
Monoisotopic Mass121.089149355
Topological Polar Surface Area26 Ų
Heavy Atom Count9
Formal Charge0
Complexity72.6
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