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Substance Name: 1-Dodecyl-5-oxopyrrolidine-3-carboxylic acid
RN: 10054-21-4
InChIKey: ZNQTZHTYSHEJLH-UHFFFAOYSA-N

Molecular Formula

  • C17-H31-N-O3

Molecular Weight

  • 297.436
 
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Names and Synonyms

Synonym

  • EINECS 233-182-7

Systematic Name

  • 1-Dodecyl-5-oxopyrrolidine-3-carboxylic acid

Registry Numbers

CAS Registry Number

  • 10054-21-4

System Generated Number

  • 0010054214

Structure Descriptors

InChI

1S/C17H31NO3/c1-2-3-4-5-6-7-8-9-10-11-12-18-14-15(17(20)21)13-16(18)19/h15H,2-14H2,1H3,(H,20,21)

InChIKey

ZNQTZHTYSHEJLH-UHFFFAOYSA-N

Smiles

O=C1C[C@@H](C(=O)O)CN1CCCCCCCCCCCC

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 39 deg C   EXP
log P (octanol-water) 2.6 (none)   EXP
Water Solubility 178 mg/L 32 EXP
Vapor Pressure 1.30E-08 mm Hg 25 EST
Henry's Law Constant 5.30E-12 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 4.23E-11 cm3/molecule-sec 25 EST

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