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2,3,3-Trimethylindolenine

CAT: 0286-T28220-01Size: 5 gDry Ice: NoHazardous: No
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CAT#:0286-T28220-01Size:5 g
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CAS Number
1640-39-7
Pictogram
07 - Irritant
UDF Signal Word
Warning
MDL Number
MFCD00005724
Hazard Statement
H302 Harmful 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
Not D.O.T.-Regulated
Precautions
P261 Avoid breathing dust/fume/gas/mist/vapors/spray; 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

3H-Indole, 2,3,3-trimethyl-
CAS Number1640-39-7
PubChem CID15427
IUPAC Name2,3,3-trimethylindole
Molecular FormulaC11H13N
Molecular Weight159.23
XLogP2.3
Topological Polar Surface Area12.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count12
Formal Charge0
Complexity215
SMILES
CC1=NC2=CC=CC=C2C1(C)C
InChI
InChI=1S/C11H13N/c1-8-11(2,3)9-6-4-5-7-10(9)12-8/h4-7H,1-3H3
InChIKey
FLHJIAFUWHPJRT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3H-Indole, 2,3,3-trimethyl-
CAS: 1640-39-7
CID: 15427
Formula: C11H13N
MW: 159.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight159.23
XLogP32.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass159.104799419
Monoisotopic Mass159.104799419
Topological Polar Surface Area12.4 Ų
Heavy Atom Count12
Formal Charge0
Complexity215
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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CatalogName
FT52498-012,3,3-Trimethylindolenine
3484-22-85-Nitro-2,3,3-trimethylindolenine
TRC-T796270-25G2,3,3-Trimethylindolenine (Technical Grade, contain dimer)
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