Chemical Properties of Benzenebutanoic acid, «alpha»,2-diamino-«gamma»-oxo- (CAS 343-65-7)

Benzenebutanoic acid, «alpha»,2-diamino-«gamma»-oxo-

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InChI
InChI=1S/C10H12N2O3/c11-7-4-2-1-3-6(7)9(13)5-8(12)10(14)15/h1-4,8H,5,11-12H2,(H,14,15)
InChI Key
YGPSJZOEDVAXAB-UHFFFAOYSA-N
Formula
C10H12N2O3
SMILES
Nc1ccccc1C(=O)CC(N)C(=O)O
Molecular Weight1
208.21
CAS
343-65-7
Other Names
  • Alanine, 3-anthraniloyl-
  • Kynurenin
  • Kynurenine
  • Quinurenine
  • 3-Anthraniloylalanine
  • dl-Kynurenine
  • «alpha»-2-diamino-«gamma»-oxobenzenebutyric acid
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Physical Properties

Property Value Unit Source
ΔfG° -128.10 kJ/mol Joback Calculated Property
ΔfH°gas -339.76 kJ/mol Joback Calculated Property
ΔfusH° 29.46 kJ/mol Joback Calculated Property
ΔvapH° 91.86 kJ/mol Joback Calculated Property
log10WS -1.25 Crippen Calculated Property
logPoct/wat 0.254 Crippen Calculated Property
McVol 156.970 ml/mol McGowan Calculated Property
Pc 4316.89 kPa Joback Calculated Property
Tboil 804.40 K Joback Calculated Property
Tc 1028.91 K Joback Calculated Property
Tfus 553.60 K Joback Calculated Property
Vc 0.571 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [444.23; 487.12] J/mol×K [804.40; 1028.91] Show Hide
Cp,gas 444.23 J/mol×K 804.40 Joback Calculated Property
Cp,gas 453.07 J/mol×K 841.82 Joback Calculated Property
Cp,gas 461.19 J/mol×K 879.24 Joback Calculated Property
Cp,gas 468.61 J/mol×K 916.65 Joback Calculated Property
Cp,gas 475.38 J/mol×K 954.07 Joback Calculated Property
Cp,gas 481.54 J/mol×K 991.49 Joback Calculated Property
Cp,gas 487.12 J/mol×K 1028.91 Joback Calculated Property

Similar Compounds

Benzenebutanoic acid, «alpha»,2-diamino-«gamma»-oxo-, (S)-. l-Kynurenine, trimethylsilyl ester. Trimethylsilyl 2-amino-4-oxo-4-pyrrol2-[(trimethylsilyl)amino]phenylmorphobutanoate. Trimethylsilyl 4-(2-aminophenyl)-4-oxo-2-[(trimethylsilyl)amino]butanoate. Benzenebutanoic acid, «gamma»-oxo-«alpha»,2-bis[(trimethylsilyl)amino]-, trimethylsilyl ester. tert-Butyl(dimethyl)silyl 4-(2-aminophenyl)-2-pyrrol[tert-butyl(dimethyl)silyl]aminomorpho-4-oxobutanoate. 5-Hydroxytryptophan, methyl, 3-PFP. Lysergol. 9H-purine-6(1h)-thione, 9-beta-d-ribofuranosyl-, 2',3'-diacetate, 5'-bis(3,5-dimethylphenyl)phosphate. Axillarine. Vobassan-17-oic acid, 4-demethyl-3-oxo-, methyl ester. Hydrocodone. Morphinan-6-ol, 4,5-epoxy-3-methoxy-17-methyl-, (5«alpha»,6«alpha»)-. cyclomegistine. Epibaptifoline.

Find more compounds similar to Benzenebutanoic acid, «alpha»,2-diamino-«gamma»-oxo-.

Sources

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