Products
  • Products
  • Buy offers
  • Encyclopedia
  • Msds lib
  • Synthesis
  • Reach Info
  • Suppliers
Home> Hot Product Listed T   > T6656557
15474-96-1 structure

T6656557

Iupac Name:2-[[2-[(2-chloroacetyl)amino]acetyl]amino]acetic acid
CAS No.:15474-96-1
Molecular Weight:208.598
Molecular Formula:C14H18N4O2 (isomer)
Names and Identifiers
Synonyms

ethyl 4-{[5-chloro-6-(2,2,2-trifluoroethoxy)pyridin-3-yl]formamido}butanoate MCULE-5868217021 MOLPORT-009-059-885 Z432964218 ZINC48331808

Inchi
InChI=1S/C6H9ClN2O4/c7-1-4(10)8-2-5(11)9-3-6(12)13/h1-3H2,(H,8,10)(H,9,11)(H,12,13)
InChkey
NCOXSGKCQMMTRX-UHFFFAOYSA-N
Canonical Smiles
C(C(=O)NCC(=O)O)NC(=O)CCl
Properties
Melting Point
179 °C
Vapour
7.3E-17mmHg at 25°C
Refractive Index
1.51
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:208.598g/mol
  • Molecular Formula:C14H18N4O2
  • Compound Is Canonicalized:True
  • Exact Mass:208.025
  • Monoisotopic Mass:208.025
  • Complexity:219
  • Rotatable Bond Count:5
  • Hydrogen Bond Donor Count:3
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:95.5A^2
  • Heavy Atom Count:13
  • 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: AAADccBjOAAEAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAHgIQCAAAAAPBgEQACALAAgAI AAGQGAAAAAAAAAAAAICIAABCQAAAACBQAAAAFgCQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
Recommended Suppliers
  • Tel:86-571-88938639
  • Fax:86-571-88938652
  • Tel:+86-21-62960152,61525205,61538832,61538837
  • Fax:
  • Tel:+1 216 883-8025
  • Fax:+1 216 883-1576
Recommended Suppliers
  • Tel:86-571-88938639
  • Fax:86-571-88938652
  • Tel:+86-21-62960152,61525205,61538832,61538837
  • Fax:
  • Tel:+1 216 883-8025
  • Fax:+1 216 883-1576
 
<