Cyclopropanecarboxamide,2-(aminomethyl)-N,N-diethyl-1-phenyl-, (1R,2S)-rel- supplier

Name
MILNACIPRAN HYDROCHLORIDE
EINECS
CAS No. 92623-85-3
Article Data26
CAS DataBase
Density 1.077 g/cm³
Solubility
Melting Point 228-228.5oC
Formula C₁₅H₂₂N₂O
Boiling Point 393 °C at 760 mmHg
Molecular Weight 246.352
Flash Point 191.5 °C
Transport Information
Appearance
Safety
Risk Codes 22
Molecular Structure
Hazard Symbols Xn
Synonyms Cyclopropanecarboxamide,2-(aminomethyl)-N,N-diethyl-1-phenyl-, cis-(?à)-;(1R,2S)-rel-2-(Aminomethyl)-N,N-diethyl-1-phenylcyclopropanecarboxamide;(1R,2S)-2-(Aminomethyl)-N,N-diethyl-1-phenylcyclopropanecarboxamide;Cyclopropanecarboxamide, 2-(aminomethyl)-N,N-diethyl-1-phenyl-, cis-;Midalcipran;Milnacipran;cis-(±)-2-(Aminomethyl)-N,N-diethyl-1-phenylcyclopropanecarboxamide;Cyclopropanecarboxamide, 2-(aminomethyl)-N,N-diethyl-1-phenyl-, cis-(±)-;(1R,2S)-2-(aminomethyl)-N,N-diethyl-1-phenylcyclopropane-1-carboxamide;
PSA 46.33000
LogP 2.47170

Cyclopropanecarboxamide,2-(aminomethyl)-N,N-diethyl-1-phenyl-, (1R,2S)-rel- Specification

The Cyclopropanecarboxamide,2-(aminomethyl)-N,N-diethyl-1-phenyl-, (1R,2S)-rel-, with the CAS registry number 92623-85-3, has the systematic name of (1R,2S)-2-(aminomethyl)-N,N-diethyl-1-phenylcyclopropanecarboxamide. And the molecular formula of the chemical is C₁₅H₂₂N₂O.

The characteristics of Cyclopropanecarboxamide,2-(aminomethyl)-N,N-diethyl-1-phenyl-, (1R,2S)-rel- are as followings: (1)ACD/LogP: 1.23; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.86; (4)ACD/LogD (pH 7.4): -1.52; (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: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 23.55 Å²; (13)Index of Refraction: 1.553; (14)Molar Refractivity: 73.23 cm³; (15)Molar Volume: 228.6 cm³; (16)Polarizability: 29.03×10^-24cm³; (17)Surface Tension: 44.4 dyne/cm; (18)Density: 1.077 g/cm³; (19)Flash Point: 191.5 °C; (20)Enthalpy of Vaporization: 64.29 kJ/mol; (21)Boiling Point: 393 °C at 760 mmHg; (22)Vapour Pressure: 2.19E-06 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(N(CC)CC)[C@@]2(c1ccccc1)[C@@H](CN)C2
(2)InChI: InChI=1/C15H22N2O/c1-3-17(4-2)14(18)15(10-13(15)11-16)12-8-6-5-7-9-12/h5-9,13H,3-4,10-11,16H2,1-2H3/t13-,15+/m1/s1
(3)InChIKey: GJJFMKBJSRMPLA-HIFRSBDPBS

Product Name

MILNACIPRAN HYDROCHLORIDE

Cyclopropanecarboxamide,2-(aminomethyl)-N,N-diethyl-1-phenyl-, (1R,2S)-rel- Specification

Related Products

Hot Products