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Home> Hot Product Listed N   > N-ethyl-2-(1H-indol-3-yl)ethanamine
124495-18-7 structure

N-ethyl-2-(1H-indol-3-yl)ethanamine

Iupac Name:5,7-dichloro-4-(4-fluorophenoxy)quinoline
CAS No.:124495-18-7
EINECS(EC#): 200-515-2
Molecular Weight:308.13
Molecular Formula:C10H13NO3 (isomer)
Names and Identifiers
Synonyms

1H-Indole-3-ethanamine, N-ethyl- 1H-Indole-3-ethanamine, N-ethyl- (9CI) 3-(2-(Ethylamino)ethyl)indole 61-53-0 AC1L1LSC BRN 0137776 INDOLE, 3-(2-(ETHYLAMINO)ETHYL)- LS-83083 N-Ethyltryptamine

Inchi
InChI=1S/C15H8Cl2FNO/c16-9-7-12(17)15-13(8-9)19-6-5-14(15)20-11-3-1-10(18)2-4-11/h1-8H
InChkey
WRPIRSINYZBGPK-UHFFFAOYSA-N
Canonical Smiles
C1=CC(=CC=C1OC2=C3C(=CC(=CC3=NC=C2)Cl)Cl)F
Properties
Density
1.38
Melting Point
105-106°
Boiling Point
520.2°C at 760 mmHg
Vapour
5.62E-07mmHg at 25°C
Refractive Index
1.648
Flash Point
214.8°C
HS Code
38220090
Safety and Handling
Risk Statements
43-50/53
Safety Statements
24-37-46-60-61
HazardClass
9
PackingGroup
III
Transport
UN3077 9/PG 3
Reach Info
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Skin sensitization, Category 1

Hazardous to the aquatic environment, short-term (Acute) - Category Acute 1

Hazardous to the aquatic environment, long-term (Chronic) - Category Chronic 1

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H317 May cause an allergic skin reaction

H410 Very toxic to aquatic life with long lasting effects

Precautionary statement(s)
Prevention

P261 Avoid breathing dust/fume/gas/mist/vapours/spray.

P272 Contaminated work clothing should not be allowed out of the workplace.

P280 Wear protective gloves/protective clothing/eye protection/face protection.

P273 Avoid release to the environment.

Response

P302+P352 IF ON SKIN: Wash with plenty of water/...

P333+P313 If skin irritation or rash occurs: Get medical advice/attention.

P321 Specific treatment (see ... on this label).

P362+P364 Take off contaminated clothing and wash it before reuse.

P391 Collect spillage.

Storage

none

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:308.13g/mol
  • Molecular Formula:C10H13NO3
  • Compound Is Canonicalized:True
  • Exact Mass:306.997
  • Monoisotopic Mass:306.997
  • Complexity:325
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:22.1A^2
  • Heavy Atom Count:20
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADccByIQAGAAAAAAAAAAAAAAAAAAAAAAA8YIAAAAAAAACx9AAAHwIAAAAADA7Bniw8xvIIFACg AzRnRACCiCAxJyAI2CA+bpgMJmLFs5uGOCjmwBnI6AeQwKAOBAAAAAKDAAAIAAAABQYAAAAAAAAA AA==
 
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