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Home> Hot Product Listed S   > STOCK6S-87723
108724-15-8 structure

STOCK6S-87723

Iupac Name:azepan-4-amine
CAS No.:108724-15-8
Molecular Weight:114.192
Molecular Formula:C7H3BRCLF3O3S (isomer)
Names and Identifiers
Synonyms

3-(3-{carboxy[4-(2,4-dimethylphenyl)piperazin-1-yl]methyl}-5-methoxy-1h-indol-1-yl)propanoic acid 3-(3-{carboxy[4-(2,4-dimethylphenyl)piperazin-1-yl]methyl}-5-methoxyindol-1-yl)propanoic acid AB01301459-01 AKOS005664299 MCULE-1437676918 MOLPORT-008-337-323 STK934731

Inchi
InChI=1S/C6H14N2/c7-6-2-1-4-8-5-3-6/h6,8H,1-5,7H2
InChkey
ZRNRPJNPCUSWGU-UHFFFAOYSA-N
Canonical Smiles
C1CC(CCNC1)N
Properties
Vapour
0.996mmHg at 25°C
Refractive Index
1.453
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available

Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

Computational chemical data
  • Molecular Weight:114.192g/mol
  • Molecular Formula:C7H3BRCLF3O3S
  • Compound Is Canonicalized:True
  • Exact Mass:114.116
  • Monoisotopic Mass:114.116
  • Complexity:63.5
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:38A^2
  • Heavy Atom Count:8
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:1
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADccBjAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAABYAAAAAAAAAAHAAQAAAACCjBAAQAAALAAAAA AAAAAAAAAAAAAAAAAIAIAAAAAAIAwAAEAAAAEACAAAEQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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Recommended Suppliers
  • Tel:+86-(10)-6969-6397
  • Fax:+86-(10)-6969-6397
  • Tel:913 594 2243
  • Fax:800-510-4402
 
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