Products
  • Products
  • Buy offers
  • Encyclopedia
  • Msds lib
  • Synthesis
  • Reach Info
  • Suppliers
Home> Hot Product Listed A   > AKOS009271356
66981-73-5 structure

AKOS009271356

Iupac Name:7-[(3-chloro-6-methyl-5,5-dioxo-11H-benzo[c][2,1]benzothiazepin-11-yl)amino]heptanoic acid
CAS No.:66981-73-5
Molecular Weight:436.951
Molecular Formula:C18H19N3OS (isomer)
Names and Identifiers
Synonyms

a-(aminomethyl)-2,4-dimethoxy-benzenepropanoic acid methyl ester

Inchi
InChI=1S/C21H25ClN2O4S/c1-24-18-9-6-5-8-16(18)21(23-13-7-3-2-4-10-20(25)26)17-12-11-15(22)14-19(17)29(24,27)28/h5-6,8-9,11-12,14,21,23H,2-4,7,10,13H2,1H3,(H,25,26)
InChkey
JICJBGPOMZQUBB-UHFFFAOYSA-N
Canonical Smiles
CN1C2=CC=CC=C2C(C3=C(S1(=O)=O)C=C(C=C3)Cl)NCCCCCCC(=O)O
Properties
Melting Point
129-131oC
Refractive Index
1.639
Safety and Handling
HazardClass
6.1(b)
PackingGroup
III
Transport
3249
Reach Info
Globally, no enterprise has officially registered the substance REACH.
Other official information: ·ECHA Information Page for CAS: 66981-73-5 EC: AKOS009271356 ·ECHA C&L Inventory for CAS: CAS: 66981-73-5 EC: AKOS009271356
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:436.951g/mol
  • Molecular Formula:C18H19N3OS
  • Compound Is Canonicalized:True
  • Exact Mass:436.122
  • Monoisotopic Mass:436.122
  • Complexity:654
  • Rotatable Bond Count:8
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:6
  • Topological Polar Surface Area:95.1A^2
  • Heavy Atom Count:29
  • 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:1
  • CACTVS Substructure Key Fingerprint: AAADceB7OABEAAAAAAAAAAAAAAAAAAAAAAAwYAAABYAAAAABQAAAHgYQSAAADCrB2CQyyYLAAgKI AiTSSHDCABAhBwAIiJkIZogIIDLB05GEYAhkkADIyAeYyOCOBAAAABAGAAAIAAAAIAwAAAAAAAAA AA==
Recommended Suppliers
  • Tel:+86-531-58897022
  • Fax:+86-531-58897063
  • Tel:86-371-86658258
  • Fax:86-371-86658258
  • Tel:86-512-66702819
  • Fax:86-512-66157101
  • Tel:0086-27-59207850
  • Fax:0086-27-59524646
  • Tel:86-571-88938639
  • Fax:86-571-88938652
  • Tel:86-311-66561638
  • Fax:86-311-66561638
  • Tel:86-571-87758665
  • Fax:86-571-86821328
  • Tel:86-571-85829152
  • Fax:86-571-85829153
  • Tel:0086-571-86722205
  • Fax:0086-571-86722205
  • Tel:+86-0592-5567629
  • Fax:+86-0592-5567629
Recommended Suppliers
  • Tel:+86-531-58897022
  • Fax:+86-531-58897063
  • Tel:86-371-86658258
  • Fax:86-371-86658258
  • Tel:86-512-66702819
  • Fax:86-512-66157101
  • Tel:0086-27-59207850
  • Fax:0086-27-59524646
  • Tel:86-571-88938639
  • Fax:86-571-88938652
  • Tel:86-311-66561638
  • Fax:86-311-66561638
  • Tel:86-571-87758665
  • Fax:86-571-86821328
  • Tel:86-571-85829152
  • Fax:86-571-85829153
  • Tel:0086-571-86722205
  • Fax:0086-571-86722205
  • Tel:+86-0592-5567629
  • Fax:+86-0592-5567629
 
<