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

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

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
  • 3-Anthraniloylalanine
  • Alanine, 3-anthraniloyl-
  • Kynurenin
  • Kynurenine
  • Quinurenine
  • dl-Kynurenine
  • «alpha»-2-diamino-«gamma»-oxobenzenebutyric acid
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Physical Properties

Property Value Unit Source
ΔfH°gas -442.93 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 33.92 kJ/mol Joback Calculated Property
IE 8.09 eV Relay (1.0) Calculated Property
log10WS -1.48 Relay (1.0) Calculated Property
logPoct/wat 0.254 Crippen Calculated Property
McVol 156.970 ml/mol McGowan Calculated Property
Tboil 620.57 K Relay (1.0) Calculated Property
Tfus 504.72 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [446.91; 492.91] J/mol×K [804.06; 1046.46] Show Hide
Cp,gas 446.91 J/mol×K 804.06 Joback Calculated Property
Cp,gas 456.43 J/mol×K 844.46 Joback Calculated Property
Cp,gas 465.13 J/mol×K 884.86 Joback Calculated Property
Cp,gas 473.07 J/mol×K 925.26 Joback Calculated Property
Cp,gas 480.31 J/mol×K 965.66 Joback Calculated Property
Cp,gas 486.90 J/mol×K 1006.06 Joback Calculated Property
Cp,gas 492.91 J/mol×K 1046.46 Joback Calculated Property

Similar Compounds

3-ANTHRANILOYL-L-ALANINE. 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. DIHYDROMORPHINE. Mucronatinine. DIHYDROMORPHINONE ACETATE. xanthosine-5'-monophosphate, TMS. Poligodial + o-Tyr (ethyl ester) adduct (R,S), acetylated, # 1. Vobassan-17-oic acid, 4-demethyl-3-oxo-, methyl ester. N6-(cyclotetramethylene-tertbutylsilyl)-2'-Deoxyadenosine, 3',5'-bis-O-TBDMS.

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

Sources

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.