Methyl 3-(aminomethyl)benzoate supplier

Name
Methyl3-(aminomethyl)benzoate
EINECS
CAS No. 93071-65-9
Article Data14
CAS DataBase
Density 1.121 g/cm³
Solubility
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
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-(Aminomethyl)benzoicacid methyl ester;Methyl 3-(aminomethyl)benzoate;m-(Methoxycarbonyl)benzylamine;
PSA 52.32000
LogP 1.63220

Methyl 3-(aminomethyl)benzoate 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

Product Name

Methyl3-(aminomethyl)benzoate

Methyl 3-(aminomethyl)benzoate Specification

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