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| CAS No.: | 93071-65-9 |
|---|---|
| Name: | Methyl3-(aminomethyl)benzoate |
| Article Data: | 14 |
| Molecular Structure: | |
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| Formula: | C9H11NO2 |
| Molecular Weight: | 165.192 |
| Synonyms: | 3-(Aminomethyl)benzoicacid methyl ester;Methyl 3-(aminomethyl)benzoate;m-(Methoxycarbonyl)benzylamine; |
| Density: | 1.121 g/cm3 |
| Melting Point: | 37-39 °C |
| Boiling Point: | 279.8 °C at 760 mmHg |
| Flash Point: | 139 °C |
| PSA: | 52.32000 |
| LogP: | 1.63220 |
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Specification
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