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Substance Name: N-Acetylvaline
RN: 96-81-1
UNII: U83P7H9HV3
InChIKey: IHYJTAOFMMMOPX-LURJTMIESA-N

Molecular Formula

  • C7-H13-N-O3

Molecular Weight

  • 159.184
 
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Names and Synonyms

Name of Substance

  • N-Acetylvaline

Synonyms

  • EINECS 202-537-8
  • UNII-U83P7H9HV3

Systematic Name

  • N-Acetylvaline

Registry Numbers

CAS Registry Number

  • 96-81-1

FDA UNII

  • U83P7H9HV3

System Generated Number

  • 0000096811

Structure Descriptors

InChI

1S/C7H13NO3/c1-4(2)6(7(10)11)8-5(3)9/h4,6H,1-3H3,(H,8,9)(H,10,11)/t6-/m0/s1

InChIKey

IHYJTAOFMMMOPX-LURJTMIESA-N

Smiles

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

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 0.300 (none)   EST
Water Solubility 6.95E+04 mg/L 25 EXP
Atmospheric OH Rate Constant 1.62E-11 cm3/molecule-sec 25 EST

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