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Home> Hot Product Listed M   > MOLPORT-016-631-073
628-80-8 structure

MOLPORT-016-631-073

Iupac Name:1-methoxypentane
CAS No.:628-80-8
Molecular Weight:102.17
Molecular Formula:C20H17N3O3 (isomer)
Names and Identifiers
Synonyms

2-methyl-1,4-diazepan-5-one 2-methyl-5-oxo-1,4-diazepane 4017913-25g AK118063 AKOS006311714 AMBCB4017913 BG00300230 fch875006 SCHEMBL2902659 Y-5736 zx-cm012402

Inchi
InChI=1S/C6H14O/c1-3-4-5-6-7-2/h3-6H2,1-2H3
InChkey
DBUJFULDVAZULB-UHFFFAOYSA-N
Canonical Smiles
CCCCCOC
Properties
Melting Point
-105.78°C (estimate)
Refractive Index
1.3850
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:102.17g/mol
  • Molecular Formula:C20H17N3O3
  • Compound Is Canonicalized:True
  • Exact Mass:102.104
  • Monoisotopic Mass:102.104
  • Complexity:27.4
  • Rotatable Bond Count:4
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:1
  • Topological Polar Surface Area:9.2A^2
  • Heavy Atom Count:7
  • 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: AAADccBgIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAAAAAACACggAICAAAABAAA AAAAAAAAAAAAAAAAAAAAAAAAAAIAAAAAAAAEAAAAAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
Recommended Suppliers
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Recommended Suppliers
  • Tel:1-631-5046093
  • Fax:1-631-6147828
 
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