The systematic name of this chemical is 2-cyclopentylethanamine.With the CAS registry number 5763-55-3, it is also named as Cyclopentaneethanamine. The molecular formula is C7H15N and molecular weight is 113.20.
The other characteristics of this product can be summarized as: (1)ACD/LogP: 1.89; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.2; (4)ACD/LogD (pH 7.4): -1; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 1; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Index of Refraction: 1.464; (13)Molar Refractivity: 35.92 cm3; (14)Molar Volume: 129.9 cm3; (15)Polarizability: 14.24×10-24 cm3; (16)Surface Tension: 33.7 dyne/cm; (17)Flash Point: 35.4 °C; (18)Enthalpy of Vaporization: 38.15 kJ/mol; (19)Boiling Point: 144.4 °C at 760 mmHg; (20)Vapour Pressure: 5.09 mmHg at 25°C.
People can use the following data to convert to the molecule structure.
1. SMILES:NCCC1CCCC1
2. InChI:InChI=1/C7H15N/c8-6-5-7-3-1-2-4-7/h7H,1-6,8H2
3. InChIKey:UKPLRVAKKXWITN-UHFFFAOYAY
4. Std. InChI:InChI=1S/C7H15N/c8-6-5-7-3-1-2-4-7/h7H,1-6,8H2
5. Std. InChIKey:UKPLRVAKKXWITN-UHFFFAOYSA-N
|