Products
  • Products
  • Buy offers
  • Encyclopedia
  • Msds lib
  • Synthesis
  • Reach Info
  • Suppliers
Home> Encyclopedia > Hot Product Listed 5   > 5-Hepten-1-ol,2,6-dimethyl-, 1-acetate
118120-51-7 structure

5-Hepten-1-ol,2,6-dimethyl-, 1-acetate

Iupac Name:7-fluoro-2-methyl-6-(4-methylpiperazin-1-yl)-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid;hydrochloride
CAS No.:118120-51-7
Molecular Weight:397.831
Molecular Formula:C29H26N2O4S (isomer)
Names and Identifiers
Synonyms

2,6-Dimethyl-5-hepten-1-ol acetate 2,6-dimethyl-5-heptenyl acetate 2,6-dimethylhept-5-en-1-yl acetate 2,6-dimethylhept-5-enyl acetate 5-Hepten-1-ol,2,6-dimethyl-, acetate (9CI) AC1L64QH CTK4J5201 DTXSID50286519 LP021989 NSC 46307 nsc-46307

Inchi
InChI=1S/C18H20FN3O4.ClH/c1-10-9-26-17-14-11(16(23)12(18(24)25)8-22(10)14)7-13(19)15(17)21-5-3-20(2)4-6-21;/h7-8,10H,3-6,9H2,1-2H3,(H,24,25);1H
InChkey
CAOOISJXWZMLBN-UHFFFAOYSA-N
Canonical Smiles
CC1COC2=C3N1C=C(C(=O)C3=CC(=C2N4CCN(CC4)C)F)C(=O)O.Cl
Isomers Smiles
CC1COC2=C3N1C=C(C(=O)C3=CC(=C2N4CCN(CC4)C)F)C(=O)O.Cl
Properties
Density
1.144
Boiling Point
351.4°Cat760mmHg
Vapour
6.7E-14mmHg at 25°C
Flash Point
°C
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:397.831g/mol
  • Molecular Formula:C29H26N2O4S
  • Compound Is Canonicalized:True
  • Exact Mass:397.12
  • Monoisotopic Mass:397.12
  • Complexity:634
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:8
  • Topological Polar Surface Area:73.3A^2
  • Heavy Atom Count:27
  • 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:2
  • CACTVS Substructure Key Fingerprint: AAADceB7OQAEAAAAAAAAAAAAAAAAAAAAAAA8WIEAAAAAAACxAAAAHwAACAAADCzhmA4yzoMABgCI AqTWSACCCAAlIAAAiAENTMgOZj7M9NuXeajk4BHY+cea2bOeCAABAAQCEAAQAAIACAQgAAAAAAAA AA==
Recommended Suppliers
  • Tel:86-571-85829152
  • Fax:86-571-85829153
  • 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:+86-025-58535435
  • Fax:
  • Tel:86-574-89212210
  • Fax:86-574-89212215
  • Tel:86-27-87465837
  • Fax:86-27-87772287
  • Tel:0086-531-58773055
  • Fax:0086-531-58773066
  • Tel:86-21-61723543
  • Fax:86-21-33250189
  • Tel:86-27-59009407
  • Fax:86-27-59707018
Recommended Suppliers
  • Tel:86-571-85829152
  • Fax:86-571-85829153
  • 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:+86-025-58535435
  • Fax:
  • Tel:86-574-89212210
  • Fax:86-574-89212215
  • Tel:86-27-87465837
  • Fax:86-27-87772287
  • Tel:0086-531-58773055
  • Fax:0086-531-58773066
  • Tel:86-21-61723543
  • Fax:86-21-33250189
  • Tel:86-27-59009407
  • Fax:86-27-59707018
 
<