Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
Benzoicacid, 4-(1-pyrrolidinyl)-, methyl ester |
EINECS | N/A |
CAS No. | 129414-26-2 | Density | 1.128g/cm3 |
PSA | 29.54000 | LogP | 2.13840 |
Solubility | N/A | Melting Point |
141 °C |
Formula | C12H15NO2 | Boiling Point | 338.9 °C at 760 mmHg |
Molecular Weight | 205.257 | Flash Point | 135.9 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes |
Harmful:; |
|
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Methyl4-pyrrolidinobenzoate; |
Article Data | 21 |
The Benzoicacid, 4-(1-pyrrolidinyl)-, methyl ester, with CAS registry number 129414-26-2, has the systematic name of methyl 4-pyrrolidin-1-ylbenzoate. Besides this, it is also called Methyl 4-(1-Pyrrolidinyl)benzenecarboxylate. And the chemical formula of this chemical is C12H15NO2.
Physical properties of Benzoicacid, 4-(1-pyrrolidinyl)-, methyl ester: (1)ACD/LogP: 2.39; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 29.54 Å2; (7)Index of Refraction: 1.553; (8)Molar Refractivity: 58.23 cm3; (9)Molar Volume: 181.8 cm3; (10)Polarizability: 23.08×10-24cm3; (11)Surface Tension: 42.5 dyne/cm; (12)Density: 1.128 g/cm3; (13)Flash Point: 135.9 °C; (14)Enthalpy of Vaporization: 58.23 kJ/mol; (15)Boiling Point: 338.9 °C at 760 mmHg; (16)Vapour Pressure: 9.5E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)c1ccc(cc1)N2CCCC2
(2)InChI: InChI=1/C12H15NO2/c1-15-12(14)10-4-6-11(7-5-10)13-8-2-3-9-13/h4-7H,2-3,8-9H2,1H3
(3)InChIKey: XNIVNLQKURGIAY-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C12H15NO2/c1-15-12(14)10-4-6-11(7-5-10)13-8-2-3-9-13/h4-7H,2-3,8-9H2,1H3
(5)Std. InChIKey: XNIVNLQKURGIAY-UHFFFAOYSA-N