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Home> Encyclopedia > Hot Product Listed 2   > 2H-1-Benzopyran-2-one,6-[[[4-[bis(2-chloroethyl)amino]phenyl]methylene]amino]-
10239-34-6 structure

2H-1-Benzopyran-2-one,6-[[[4-[bis(2-chloroethyl)amino]phenyl]methylene]amino]-

Iupac Name:N,N'-dibenzylpropane-1,3-diamine
CAS No.:10239-34-6
Molecular Weight:254.377
Molecular Formula:C12H20O2 (isomer)
Names and Identifiers
Synonyms

6-[[4-[bis(2-chloroethyl)amino]phenyl]methylideneamino]chrom 6-[[4-[bis(2-chloroethyl)amino]phenyl]methylideneamino]chromen-2-one 6-{[(e)-{4-[bis(2-chloroethyl)amino]phenyl}methylidene]amino}-2h-chromen-2-one AC1L5K68 AC1Q3USS Coumarin,6-[[p-[bis(2-chloroethyl)amino]benzylidene]amino]- (8CI) CTK4D0260 DTXSID30290972 HE209422 HE209560 NCIOPEN2_008689 NSC 72153 nsc72153 nsc-72153 ZINC100372332 ZINC1698338

Inchi
InChI=1S/C17H22N2/c1-3-8-16(9-4-1)14-18-12-7-13-19-15-17-10-5-2-6-11-17/h1-6,8-11,18-19H,7,12-15H2
InChkey
RXLUOFXICZSZIB-UHFFFAOYSA-N
Canonical Smiles
C1=CC=C(C=C1)CNCCCNCC2=CC=CC=C2
Properties
Vapour
2.77E-06mmHg at 25°C
Refractive Index
1.564
HS Code
2921590090
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:254.377g/mol
  • Molecular Formula:C12H20O2
  • Compound Is Canonicalized:True
  • XLogP3-AA:2.6
  • Exact Mass:254.178
  • Monoisotopic Mass:254.178
  • Complexity:183
  • Rotatable Bond Count:8
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:24.1A^2
  • Heavy Atom Count:19
  • 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: AAADceB7AAAAAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAAABQAAAHAAQAAAADADBGAQwAILAAACA AiBCAACCAAAgAAAIiIAIBIgIICKA0RGEIAhgkACIiAcQgAAOAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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Recommended Suppliers
  • Tel:86-571-88938639
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  • Tel:86-571-87396430
  • Fax:86-571-87396431
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  • Fax:86-21-61294103
  • Tel:0086-531-58773055
  • Fax:0086-531-58773066
  • Tel:86-311-66600578
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  • Tel:+86-10-51280831 86-10-88459036 +86-10-80929938
  • Fax:+86-10-51280832; 88459036
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  • Fax:+1-(410)-309-5955
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