2-A1MP CAS # 831232-01-2

Description

2-A1MP with an IUPAC name of 1-(7-Methoxy-benzo[1,3]dioxol-5-yl)-2-methylamino-propan-1-one is an novelty compound which has a compound with a methoxide that is attached to the phyenyl ring.

Research on compound was conducted by ACD/Labs’ and ChemAxon. Properties that were predicted by ACD/Labs showed 4 #H bond acceptors, 3 #Freely rotating bonds, index of refraction at 1.547 with a surface tension of 45.5±3.0 dyne/cm, a flash point of 165.5±27.9 °C and a boiling point of 350.1±42.0 °C at 760 mmHg.

Properties that were predicted by ChemAxon included a topology analysis, which showed an atom count of 28, bond count of 29, cyclomatic number of 2, chain atom count of 6, chain bond count of 6, asymmetric atom count of 1, and rotatable bond count of 3. Under geometry, the information provided showed deriding energy of 35.77 kcal/mol with a volume of 188.15 Å3, a minimal projection area of 37.58 Å2 and maximum at 58.78 Å2.

Chemical and physical properties of compound include a heavy atom count of 14, topological polar surface area of 47.6, covalently bonded unit count of 1, feature 3D acceptor count of 3, 3D donor count of 1, feature 3D cation count of 1, feature 3D ring count of 2, and effective rotor count of 3.6.