Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
Methyl 3-(aminomethyl)benzoate |
EINECS | N/A |
CAS No. | 93071-65-9 | Density | 1.121 g/cm3 |
PSA | 52.32000 | LogP | 1.63220 |
Solubility | N/A | Melting Point |
37-39 °C |
Formula | C9H11NO2 | Boiling Point | 279.8 °C at 760 mmHg |
Molecular Weight | 165.192 | Flash Point | 139 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
3-(Aminomethyl)benzoicacid methyl ester;Methyl 3-(aminomethyl)benzoate;m-(Methoxycarbonyl)benzylamine; |
Article Data | 14 |
The Methyl 3-(aminomethyl)benzoate with its cas register number is 93071-65-9. It also can be called as 3-(Aminomethyl)benzoic acid methyl ester and the Systematic name about this chemical is methyl 3-(aminomethyl)benzoate.
Physical properties about Methyl 3-(aminomethyl)benzoate are: (1)ACD/LogP: 1.07; (2)ACD/LogD (pH 5.5): -1.92; (3)ACD/LogD (pH 7.4): -0.65; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1.73; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 29.54Å2; (12)Index of Refraction: 1.543; (13)Molar Refractivity: 46.47 cm3; (14)Molar Volume: 147.3 cm3; (15)Polarizability: 18.42x10-24cm3; (16)Surface Tension: 43.3 dyne/cm; (17)Enthalpy of Vaporization: 51.85 kJ/mol; (18)Vapour Pressure: 0.00393 mmHg at 25°C
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)c1cc(ccc1)CN
(2)InChI: InChI=1/C9H11NO2/c1-12-9(11)8-4-2-3-7(5-8)6-10/h2-5H,6,10H2,1H3
(3)InChIKey: OWBKDJSKHXGOJY-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C9H11NO2/c1-12-9(11)8-4-2-3-7(5-8)6-10/h2-5H,6,10H2,1H3
(5)Std. InChIKey: OWBKDJSKHXGOJY-UHFFFAOYSA-N