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Substance Name: Octanoic acid, 2-amino-
RN: 644-90-6
InChIKey: AKVBCGQVQXPRLD-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C8-H17-N-O2

Molecular Weight

  • 159.227
 
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Names and Synonyms

Synonyms

  • 2-Amino-DL-caprylic acid
  • 2-Aminooctanoic acid
  • AI3-15286
  • Caprylic acid, alpha-amino-
  • DL-alpha-Aminocaprylic acid
  • EINECS 211-424-2
  • EINECS 218-579-5
  • NSC 20147

Systematic Names

  • (+-)-2-Aminooctanoic acid
  • Octanoic acid, 2-amino-

Registry Numbers

CAS Registry Number

  • 644-90-6

Other Registry Number

  • 2187-07-7

System Generated Number

  • 0000644906

Structure Descriptors

InChI

1S/C8H17NO2/c1-2-3-4-5-6-7(9)8(10)11/h7H,2-6,9H2,1H3,(H,10,11)

InChIKey

AKVBCGQVQXPRLD-UHFFFAOYSA-N

Smiles

O=C(O)[C@@H](N)CCCCCC

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 270 deg C   EXP
log P (octanol-water) -0.530 (none)   EST
Atmospheric OH Rate Constant 4.51E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.