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Home> Hot Product Listed 6   > 6-(3-fluorophenyl)-1h-indole-3-carbaldehyde
544-00-3 structure

6-(3-fluorophenyl)-1h-indole-3-carbaldehyde

Iupac Name:3-methyl-N-(3-methylbutyl)butan-1-amine
CAS No.:544-00-3
Molecular Weight:157.301
Molecular Formula:C21H24N4O (isomer)
Names and Identifiers
Synonyms

SCHEMBL15331451

Inchi
InChI=1S/C10H23N/c1-9(2)5-7-11-8-6-10(3)4/h9-11H,5-8H2,1-4H3
InChkey
SPVVMXMTSODFPU-UHFFFAOYSA-N
Canonical Smiles
CC(C)CCNCCC(C)C
Properties
Melting Point
-44°C
Refractive Index
1.4230
HS Code
2921199090
Safety and Handling
Risk Statements
R34
Safety Statements
S26;S36/37/39;S45
HazardClass
3
PackingGroup
II
Transport
2734
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H226 Flammable liquid and vapour

H314 Causes severe skin burns and eye damage

Precautionary statement(s)
Prevention

none

Response

none

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:157.301g/mol
  • Molecular Formula:C21H24N4O
  • Compound Is Canonicalized:True
  • Exact Mass:157.183
  • Monoisotopic Mass:157.183
  • Complexity:66.9
  • Rotatable Bond Count:6
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:1
  • Topological Polar Surface Area:12A^2
  • Heavy Atom Count:11
  • 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: AAADceByAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAHAAQAAAADQDBAAQCAALAAAAA AAAAAAAAAAAAAAAAAIAIAAAAAAAAgAAEAAAAEACAAAAAAAAIAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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Recommended Suppliers
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  • Tel:86-571-87396430
  • Fax:86-571-87396431
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  • Fax:86-21-33250189
  • Tel:+86-21-62960152,61525205,61538832,61538837
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