Products
  • Products
  • Buy offers
  • Encyclopedia
  • Msds lib
  • Synthesis
  • Reach Info
  • Suppliers
Home> Encyclopedia > Hot Product Listed 5   > 5-Heptenoic acid,7-[2-[(2-hydroxy-1-oxoheptyl)amino]-5-oxo-3-cyclopenten-1-yl]-, [1R-[1a(Z),2b(S*)]]...
112-62-9 structure

5-Heptenoic acid,7-[2-[(2-hydroxy-1-oxoheptyl)amino]-5-oxo-3-cyclopenten-1-yl]-, [1R-[1a(Z),2b(S*)]]- (9CI)

Iupac Name:methyl (Z)-octadec-9-enoate
CAS No.:112-62-9
Molecular Weight:296.495
Molecular Formula:C14H14F2N2O4 (isomer)
Names and Identifiers
Synonyms

(Z)-7-[(1R,2S)-2-[[(2S)-2-hydroxyheptanoyl]amino]-5-oxocyclopent-3-en-1-yl]hept-5-enoic acid 5-Heptenoic acid, 7-(2-((2-hydroxy-1-oxoheptyl)amino)-5-oxo-3-cyclopenten-1-yl)-, (1R-(1alpha(Z),2beta(S*)))- 7-(N-(2S-Hydroxyhexylcarbonyl)-2-amino-5-oxo-3-cyclopentenyl)-5-heptenoic acid AC1O5S4A

Inchi
InChI=1S/C19H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h10-11H,3-9,12-18H2,1-2H3/b11-10-
InChkey
QYDYPVFESGNLHU-KHPPLWFESA-N
Canonical Smiles
CCCCCCCCC=CCCCCCCCC(=O)OC
Isomers Smiles
CCCCCCCC/C=C\CCCCCCCC(=O)OC
Properties
Density
0.952
Melting Point
-20℃
Boiling Point
458.7°C at 760 mmHg
Vapour
4.1E-05mmHg at 25°C
Refractive Index
1.451-1.458
Flash Point
269.5°C
HS Code
29161500
Safety and Handling
Risk Statements
R11
Safety Statements
S24/25
Hazard Note
H225; H304; H315; H336; H410
Transport
UN 1206 3/PG 2
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s) No symbol.
Signal word

No signal word.

Hazard statement(s)

none

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:296.495g/mol
  • Molecular Formula:C14H14F2N2O4
  • Compound Is Canonicalized:True
  • Exact Mass:296.272
  • Monoisotopic Mass:296.272
  • Complexity:246
  • Rotatable Bond Count:16
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:26.3A^2
  • Heavy Atom Count:21
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:1
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADcfB4MAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAAAAAACACAgAICCAAABACI ACDSCAAAAAAgAAAICAEAAAgAABIAAQAAAAAEgAAIAAOIyKCAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
Recommended Suppliers
  • Tel:0086-27-59207850
  • Fax:0086-27-59524646
  • Tel:86-571-88938639
  • Fax:86-571-88938652
  • Tel:+86-0592-5567629
  • Fax:+86-0592-5567629
  • Tel:86-571-87396430
  • Fax:86-571-87396431
  • Tel:86-571-86960370
  • Fax:86-571-86940780
  • Tel:86-188-74586545
  • Fax:86-27-83214668
  • Tel:86-28-85249238
  • Fax:86-28-85377358
  • Tel:86-27-87465837
  • Fax:86-27-87772287
  • Tel:0086-531-58773055
  • Fax:0086-531-58773066
  • Tel:86-27-59721024
  • Fax:86-27-59721024
Recommended Suppliers
  • Tel:0086-27-59207850
  • Fax:0086-27-59524646
  • Tel:86-571-88938639
  • Fax:86-571-88938652
  • Tel:+86-0592-5567629
  • Fax:+86-0592-5567629
  • Tel:86-571-87396430
  • Fax:86-571-87396431
  • Tel:86-571-86960370
  • Fax:86-571-86940780
  • Tel:86-188-74586545
  • Fax:86-27-83214668
  • Tel:86-28-85249238
  • Fax:86-28-85377358
  • Tel:86-27-87465837
  • Fax:86-27-87772287
  • Tel:0086-531-58773055
  • Fax:0086-531-58773066
  • Tel:86-27-59721024
  • Fax:86-27-59721024
 
<