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Home> Encyclopedia > >
75195-12-9 structure

Iupac Name:sodium;2-[dodecanoyl(methyl)amino]acetate
CAS No.:75195-12-9
EINECS(EC#): 205-281-5
Molecular Weight:293.383
Molecular Formula:C15H28NNaO3 (isomer)
Names and Identifiers
Synonyms

Inchi
InChI=1S/C15H29NO3.Na/c1-3-4-5-6-7-8-9-10-11-12-14(17)16(2)13-15(18)19;/h3-13H2,1-2H3,(H,18,19);/q;+1/p-1
InChkey
KSAVQLQVUXSOCR-UHFFFAOYSA-M
Canonical Smiles
CCCCCCCCCCCC(=O)N(C)CC(=O)[O-].[Na+]
Properties
Appearance
Clear liquid
Melting Point
140℃
Boiling Point
100 C (30%)
Flash Point
94 C (30%)
Solubility
Soluble
Stability
Stable. Incompatible with strong oxidizing agents.
HS Code
34021190
Storage temp
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
Safety and Handling
Hazard Codes
Xi
Risk Statements
R36/37/38
Safety Statements
S24/25
Hazard Note
H315; H318; H330
Transport
200kgs
Computational chemical data
  • Molecular Weight:293.383g/mol
  • Molecular Formula:C15H28NNaO3
  • Compound Is Canonicalized:True
  • Exact Mass:293.197
  • Monoisotopic Mass:293.197
  • Complexity:260
  • Rotatable Bond Count:12
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:60.4A^2
  • Heavy Atom Count:20
  • 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:2
  • CACTVS Substructure Key Fingerprint: AAADceByMCAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAHgAAAAAACADBgAQCCAMAAAAI AAGQGAAAAAAAAAAAAAGIAAACABIAgCAEAAAABgCQAAEYiICAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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