Basic Information | Post buying leads | Suppliers |
Name |
(3R,4R)-4-Isopropylpyrrolidine-3-carboxylic acid |
EINECS | N/A |
CAS No. | 261896-36-0 | Density | 1.054 g/cm3 |
PSA | 49.33000 | LogP | 0.89140 |
Solubility | N/A | Melting Point |
N/A |
Formula | C8H15NO2 | Boiling Point | 270.829 °C at 760 mmHg |
Molecular Weight | 157.213 | Flash Point | 117.594 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
(3R,4R)-4-Isopropylpyrrolidine-3-carboxylic acid; |
The (3R,4R)-4-Isopropylpyrrolidine-3-carboxylic acid with the cas number 261896-36-0 is also called 3-Pyrrolidinecarboxylicacid, 4-(1-methylethyl)-, (3R,4R)-rel-. The systematic name is (3R,4R)-4-(propan-2-yl)pyrrolidine-3-carboxylic acid. Its molecular formula is C8H15NO2. This chemical belongs to the following product categories: (1)isopropyl; (2)carboxylicacid.
The properties of the chemical are: (1)ACD/LogP: 1.06; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 49.33 Å2; (7)Index of Refraction: 1.472; (8)Molar Refractivity: 41.767 cm3; (9)Molar Volume: 149.108 cm3; (10)Polarizability: 16.558×10-24cm3; (11)Surface Tension: 35.964 dyne/cm; (12)Enthalpy of Vaporization: 56.027 kJ/mol; (13)Vapour Pressure: 0.002 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)[C@H]1CNC[C@@H]1C(C)C
(2)InChI: InChI=1/C8H15NO2/c1-5(2)6-3-9-4-7(6)8(10)11/h5-7,9H,3-4H2,1-2H3,(H,10,11)/t6-,7+/m1/s1
(3)InChIKey: NQULSPPHDFWDLL-RQJHMYQMBH