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| CAS No.: | 912342-10-0 |
|---|---|
| Name: | Benzoicacid, 4-[(1R)-1-aminoethyl]-, methyl ester |
| Article Data: | 5 |
| Molecular Structure: | |
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| Formula: | C10H13NO2 |
| Molecular Weight: | 179.219 |
| Synonyms: | 4-[(1R)-1-Aminoethyl]benzoic acid methyl ester; |
| Density: | 1.089 g/cm3 |
| Boiling Point: | 281.5 °C at 760 mmHg |
| Flash Point: | 140.5 °C |
| PSA: | 52.32000 |
| LogP: | 2.19320 |
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Specification
The 4-[(1R)-1-Aminoethyl]benzoic acid methyl ester with the CAS number 912342-10-0 is also called Benzoicacid, 4-[(1R)-1-aminoethyl]-, methyl ester. The systematic name is methyl 4-[(1R)-1-aminoethyl]benzoate. Its molecular formula is C10H13NO2. The product category is API intermediates.
The properties of the 4-[(1R)-1-Aminoethyl]benzoic acid methyl ester are: (1)ACD/LogP: 1.41; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 52.32 Å2; (7)Index of Refraction: 1.533; (8)Molar Refractivity: 51.11 cm3; (9)Molar Volume: 164.5 cm3; (10)Polarizability: 20.26×10-24cm3; (11)Surface Tension: 40.9 dyne/cm; (12)Enthalpy of Vaporization: 52.03 kJ/mol; (13)Vapour Pressure: 0.00354 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: CC(c1ccc(cc1)C(=O)OC)N
(2)InChI: InChI=1/C10H13NO2/c1-7(11)8-3-5-9(6-4-8)10(12)13-2/h3-7H,11H2,1-2H3/t7-/m1/s1
(3)InChIKey: XSYGLHLLQZGWPT-SSDOTTSWBP