The Pyrrolidine, 3-methyl-,hydrochloride (1:1), with the CAS registry number 120986-92-7, has the systematic name and IUPAC name of 3-methylpyrrolidine hydrochloride. The molecular formula of the chemical is C5H11N.HCl, and its molecular weight is 121.6085.
The characteristics of Pyrrolidine, 3-methyl-,hydrochloride (1:1) are as followings: (1)ACD/LogP: 0.86; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 0; (6)Polar Surface Area: 12.03 Å2; (7)Flash Point: 42.6 °C; (8)Enthalpy of Vaporization: 39.18 kJ/mol; (9)Boiling Point: 146.9 °C at 760 mmHg; (10)Vapour Pressure: 4.03 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Cl.CC1CCNC1
(2)InChI: InChI=1/C5H11N.ClH/c1-5-2-3-6-4-5;/h5-6H,2-4H2,1H3;1H
(3)InChIKey: JDJFUMBJQINVKP-UHFFFAOYAU
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