Products
  • Products
  • Buy offers
  • Encyclopedia
  • Msds lib
  • Synthesis
  • Reach Info
  • Suppliers
Home> Encyclopedia > Hot Product Listed 5   > 5-Heptenoic acid,7-[6-(1-octenyl)-2-oxa-3-azabicyclo[2.2.1]hept-5-yl]-, [1R-[1a,4a,5b(Z),6a(E)]]- (9...
19079-38-0 structure

5-Heptenoic acid,7-[6-(1-octenyl)-2-oxa-3-azabicyclo[2.2.1]hept-5-yl]-, [1R-[1a,4a,5b(Z),6a(E)]]- (9CI)

Iupac Name:2-N-(3-fluorophenyl)-1,3,5-triazine-2,4-diamine
CAS No.:19079-38-0
Molecular Weight:205.196
Molecular Formula:C19H27NO2 (isomer)
Names and Identifiers
Synonyms

2-Oxa-3-azabicyclo[2.2.1]heptane,5-heptenoic acid deriv. U 54701

Inchi
InChI=1S/C9H8FN5/c10-6-2-1-3-7(4-6)14-9-13-5-12-8(11)15-9/h1-5H,(H3,11,12,13,14,15)
InChkey
JKCGOWLLLHSYBN-UHFFFAOYSA-N
Canonical Smiles
C1=CC(=CC(=C1)F)NC2=NC=NC(=N2)N
Properties
Density
1.227
Boiling Point
577°C at 760 mmHg
Flash Point
219.3°C
Safety and Handling
HazardClass
IRRITANT
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:205.196g/mol
  • Molecular Formula:C19H27NO2
  • Compound Is Canonicalized:True
  • Exact Mass:205.076
  • Monoisotopic Mass:205.076
  • Complexity:203
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:6
  • Heavy Atom Count:15
  • 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
Recommended Suppliers
  • Tel:44 161 406 0505
  • Fax:44 161 405 0506
  • Tel:44 (1761)-435170
  • Fax:
  • Tel:+49 721 95061-0
  • Fax:+49 721 95061-80
  • Tel:1 888 463 6346
  • Fax:(908) 359-1179
Recommended Suppliers
  • Tel:44 161 406 0505
  • Fax:44 161 405 0506
  • Tel:44 (1761)-435170
  • Fax:
  • Tel:+49 721 95061-0
  • Fax:+49 721 95061-80
  • Tel:1 888 463 6346
  • Fax:(908) 359-1179
 
<