Methyl 5-amino-2-methoxybenzoate supplier

Name
methyl 5-amino-o-anisate
EINECS 245-230-4
CAS No. 22802-67-1
Article Data35
CAS DataBase
Density 1.18 g/cm³
Solubility
Melting Point
Formula C₉H₁₁NO₃
Boiling Point 329.6 °C at 760 mmHg
Molecular Weight 181.191
Flash Point 173.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms o-Anisicacid, 5-amino-, methyl ester (8CI);Methyl 5-amino-o-anisate;
PSA 61.55000
LogP 1.64520

Methyl 5-amino-2-methoxybenzoate Specification

The Benzoic acid,5-amino-2-methoxy-, methyl ester, with CAS registry number 22802-67-1, belongs to the following product categories: (1)Aromatic Esters; (2)Esters; (3)Phenyls & Phenyl-Het. It has the systematic name of methyl 5-amino-2-methoxybenzoate. And the chemical formula of this chemical is C₉H₁₁NO₃. What's more, its EINECS is 245-230-4.

Physical properties of Benzoic acid,5-amino-2-methoxy-, methyl ester: (1)ACD/LogP: 0.75; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.74; (4)ACD/LogD (pH 7.4): 0.75; (5)ACD/BCF (pH 5.5): 2.12; (6)ACD/BCF (pH 7.4): 2.19; (7)ACD/KOC (pH 5.5): 58.94; (8)ACD/KOC (pH 7.4): 61.02; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 38.77 Å²; (13)Index of Refraction: 1.55; (14)Molar Refractivity: 48.94 cm3; (15)Molar Volume: 153.6 cm³; (16)Polarizability: 19.4×10^-24cm³; (17)Surface Tension: 43.5 dyne/cm; (18)Density: 1.179 g/cm³; (19)Flash Point: 173.3 °C; (20)Enthalpy of Vaporization: 57.21 kJ/mol; (21)Boiling Point: 329.6 °C at 760 mmHg; (22)Vapour Pressure: 0.000175 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)c1cc(ccc1OC)N
(2)InChI: InChI=1/C9H11NO3/c1-12-8-4-3-6(10)5-7(8)9(11)13-2/h3-5H,10H2,1-2H3
(3)InChIKey: PSCXCIPPRCFAAO-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C9H11NO3/c1-12-8-4-3-6(10)5-7(8)9(11)13-2/h3-5H,10H2,1-2H3
(5)Std. InChIKey: PSCXCIPPRCFAAO-UHFFFAOYSA-N

Product Name

methyl 5-amino-o-anisate

Methyl 5-amino-2-methoxybenzoate Specification

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