Benzoic acid,4-(3,4-diaminophenoxy)-, methyl ester supplier

Name
METHYL 4-(3,4-DIAMINOPHENOXY)BENZENECARBOXYLATE
EINECS
CAS No. 24002-80-0
Density 1.275 g/cm³
Solubility
Melting Point 92-95 °C
Formula C₁₄H₁₄N₂O₃
Boiling Point 434.9 °C at 760 mmHg
Molecular Weight 258.2726
Flash Point 209.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Benzoicacid, p-(3,4-diaminophenoxy)-, methyl ester (8CI);
PSA 87.57000
LogP 3.59230

Benzoic acid,4-(3,4-diaminophenoxy)-, methyl ester Specification

The Benzoic acid,4-(3,4-diaminophenoxy)-, methyl ester is an organic compound with the formula C₁₄H₁₄N₂O₃. The IUPAC name of this chemical is methyl 4-(3,4-diaminophenoxy)benzoate. With the CAS registry number 24002-80-0, it is also named as methyl 4-(3,4-diaminophenoxy)benzenecarboxylate.

Physical properties about Benzoic acid,4-(3,4-diaminophenoxy)-, methyl ester are: (1)ACD/LogP: 1.41; (2)ACD/LogD (pH 5.5): 1.39; (3)ACD/LogD (pH 7.4): 1.41; (4)ACD/BCF (pH 5.5): 6.67; (5)ACD/BCF (pH 7.4): 6.95; (6)ACD/KOC (pH 5.5): 133.84; (7)ACD/KOC (pH 7.4): 139.39; (8)#H bond acceptors: 5; (9)#H bond donors: 4; (10)#Freely Rotating Bonds: 6; (11)Polar Surface Area: 42.01 Å²; (12)Index of Refraction: 1.639; (13)Molar Refractivity: 72.94 cm³; (14)Molar Volume: 202.4 cm³; (15)Polarizability: 28.91×10^-24cm³; (16)Surface Tension: 56.4 dyne/cm; (17)Density: 1.275 g/cm³; (18)Flash Point: 209.8 °C; (19)Enthalpy of Vaporization: 69.11 kJ/mol; (20)Boiling Point: 434.9 °C at 760 mmHg; (21)Vapour Pressure: 9.11E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)c2ccc(Oc1ccc(c(c1)N)N)cc2
(2)InChI: InChI=1/C14H14N2O3/c1-18-14(17)9-2-4-10(5-3-9)19-11-6-7-12(15)13(16)8-11/h2-8H,15-16H2,1H3
(3)InChIKey: JVUMYACJZGHRAH-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C14H14N2O3/c1-18-14(17)9-2-4-10(5-3-9)19-11-6-7-12(15)13(16)8-11/h2-8H,15-16H2,1H3
(5)Std. InChIKey: JVUMYACJZGHRAH-UHFFFAOYSA-N

Product Name

METHYL 4-(3,4-DIAMINOPHENOXY)BENZENECARBOXYLATE

Benzoic acid,4-(3,4-diaminophenoxy)-, methyl ester Specification

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