ChemSpider 2D Image | DG1527000 | C11H15NO2

DG1527000

  • Molecular FormulaC11H15NO2
  • Average mass193.242 Da
  • Monoisotopic mass193.110275 Da
  • ChemSpider ID21105863

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

231-816-7 [EINECS]
2-Aminobenzoate de butyle [French] [ACD/IUPAC Name]
7756-96-9 [RN]
Benzoic acid, 2-amino-, butyl ester [ACD/Index Name]
Butyl 2-aminobenzoate [ACD/IUPAC Name]
Butyl anthranilate
Butyl-2-aminobenzoat [German] [ACD/IUPAC Name]
DG1527000
MFCD00036506 [MDL number]
(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-(3-carboxy-3-methylbutanoyl)oxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

2181 [DBID]
73DAT3M81O [DBID]
AI3-03442 [DBID]
CCRIS 4759 [DBID]
FEMA No. 2181 [DBID]
NCGC00091623-01 [DBID]
NSC 406509 [DBID]
NSC406509 [DBID]
UNII:73DAT3M81O [DBID]
UNII-73DAT3M81O [DBID]
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  • References
  • Experimental Physico-chemical Properties
  • Miscellaneous
  • Gas Chromatography

    • Retention Index (Kovats):

      1670 (estimated with error: 89) NIST Spectra mainlib_290915, replib_228815

    • Retention Index (Normal Alkane):

      1600.6 (Program type: Ramp; Column cl... (show more) ass: Standard non-polar; Column diameter: 0.32 mm; Column length: 50 m; Column type: Capillary; Heat rate: 5 K/min; Start T: 65 C; End T: 280 C; End time: 30 min; Start time: 10 min; CAS no: 7756969; Active phase: CP Sil 5 CB; Carrier gas: He; Phase thickness: 0.4 um; Data type: Normal alkane RI; Authors: Joulain, D.; Casazza, A.; Laurent, R.; Portier, D.; Guillamon, N.; Pandya, R.; Le, M.; Viljoen, A., Volatile flavor constituents of fruits from Southern Africa: mobola plum (Parinari curatellifolia), J. Agric. Food Chem., 52, 2004, 2322-2325.) NIST Spectra nist ri
      1600 (Program type: Ramp; Column cl... (show more) ass: Standard non-polar; Column type: Capillary; CAS no: 7756969; Active phase: SE-30; Data type: Normal alkane RI; Authors: Vinogradov, B.A., Production, composition, properties and application of essential oils, 2004.) NIST Spectra nist ri
      2419 (Program type: Ramp; Column cl... (show more) ass: Standard polar; Column type: Capillary; CAS no: 7756969; Active phase: Carbowax 20M; Data type: Normal alkane RI; Authors: Vinogradov, B.A., Production, composition, properties and application of essential oils, 2004.) NIST Spectra nist ri

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 297.1±13.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 53.7±3.0 kJ/mol
Flash Point: 153.2±17.4 °C
Index of Refraction: 1.540
Molar Refractivity: 56.2±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.63
ACD/LogD (pH 5.5): 3.06
ACD/BCF (pH 5.5): 124.60
ACD/KOC (pH 5.5): 1100.36
ACD/LogD (pH 7.4): 3.06
ACD/BCF (pH 7.4): 124.66
ACD/KOC (pH 7.4): 1100.86
Polar Surface Area: 52 Å2
Polarizability: 22.3±0.5 10-24cm3
Surface Tension: 42.5±3.0 dyne/cm
Molar Volume: 179.1±3.0 cm3

Click to predict properties on the Chemicalize site


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