Laurylamine acetate

C14H31NO2CAS 2016-56-0245.41 g/mol

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OOHNH2
Carboxylic acidPrimary amine

Properties

Molecular formula
C14H31NO2
Molar mass
245.41 g/mol
Exact mass
245.2355 Da
Melting point
68.5–69 °C
logP
3.96Crippen estimate
Polar surface area
63.3 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
10

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
2016-56-0
SMILES
CC(=O)O.CCCCCCCCCCCCN
InChIKey
HBRNMIYLJIXXEE-UHFFFAOYSA-N
InChI
InChI=1S/C12H27N.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13;1-2(3)4/h2-13H2,1H3;1H3,(H,3,4)

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Names and synonyms

10 names
  • Dodecylamine, acetate
  • 1-Dodecanamine, acetate (1:1)
  • 1-Dodecanamine, acetate
  • n-Dodecylamine acetate
  • Dodecylammonium acetate
  • Armac 12D
  • Lauryl ammonium acetate
  • Nopcogen 16L
  • Laurylamine acetic acid salt
  • NSC 97256

Work with Laurylamine acetate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Acetic acid64-19-7Free acid (2H3)Acetic (2H)acid1186-52-3Free acid, labelled Dodecylamine124-22-1Free base Potassium acetate127-08-2Salt Aluminium diacetate142-03-0Salt Calcium acetate62-54-4Salt Copper(II) acetate142-71-2Salt Mercury(II) acetate1600-27-7Salt Lead(II) acetate301-04-2Salt Aluminium triacetate139-12-8Salt 4-Aminophenylmercuric acetate6283-24-5Salt Basic lead acetate1335-32-6Salt

Similar compounds

Hexylamine111-26-258 % similar Heptylamine111-68-258 % similar Octylamine111-86-458 % similar Nonylamine112-20-958 % similar Octadecylamine124-30-158 % similar 1-Aminononadecane14130-05-358 % similar Hexadecylamine143-27-158 % similar Tetradecylamine2016-42-458 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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