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Home> Hot Product Listed S   > STOCK4S-47040
687-38-7 structure

STOCK4S-47040

Iupac Name:2-[(2-aminoacetyl)amino]-3-hydroxypropanoic acid
CAS No.:687-38-7
Molecular Weight:162.145
Molecular Formula:C14H11N3O2S (isomer)
Names and Identifiers
Synonyms

AC1LTGPQ AKOS005694502 AKOS032387907 MOLPORT-000-760-071 MOLPORT-002-611-865 n-(3-chloro-4-methylphenyl)-n'-(5-ethyl-1,3,4-thiadiazol-2-yl)butanediamide STL041005 ZINC9289793

Inchi
InChI=1S/C5H10N2O4/c6-1-4(9)7-3(2-8)5(10)11/h3,8H,1-2,6H2,(H,7,9)(H,10,11)
InChkey
BCCRXDTUTZHDEU-UHFFFAOYSA-N
Canonical Smiles
C(C(C(=O)O)NC(=O)CN)O
Properties
Refractive Index
1.538
Reach Info
Globally, no enterprise has officially registered the substance REACH.
Other official information: ·ECHA Information Page for CAS: 687-38-7 EC: STOCK4S-47040 ·ECHA C&L Inventory for CAS: CAS: 687-38-7 EC: STOCK4S-47040
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:162.145g/mol
  • Molecular Formula:C14H11N3O2S
  • Compound Is Canonicalized:True
  • Exact Mass:162.064
  • Monoisotopic Mass:162.064
  • Complexity:159
  • Rotatable Bond Count:4
  • Hydrogen Bond Donor Count:4
  • Hydrogen Bond Acceptor Count:5
  • Topological Polar Surface Area:113A^2
  • Heavy Atom Count:11
  • 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: AAADccBjOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAHgAQCAAACCjhgAYACALAAgAI AAGQGAAAAAAAAAAAAIGIAAACUAQAACAQQAABNgCQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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