Benzamide,3,4-dichloro-N-methyl-N-[(1R,2S)-2-(1-pyrrolidinyl)cyclohexyl]-, hydrochloride(1:1), rel- supplier

Name
U-54494A HYDROCHLORIDE
EINECS
CAS No. 112465-94-8
Density
Solubility
Melting Point
Formula C₁₈H₂₄Cl₂N₂O.ClH
Boiling Point 496.5 °C at 760 mmHg
Molecular Weight 391.768
Flash Point 254.1 °C
Transport Information
Appearance White to off-white solid.
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Benzamide,3,4-dichloro-N-methyl-N-[(1R,2S)-2-(1-pyrrolidinyl)cyclohexyl]-,monohydrochloride, rel- (9CI);Benzamide,3,4-dichloro-N-methyl-N-[2-(1-pyrrolidinyl)cyclohexyl]-, monohydrochloride,cis-;U 54494A;
PSA 23.55000
LogP 5.21230

Benzamide,3,4-dichloro-N-methyl-N-[(1R,2S)-2-(1-pyrrolidinyl)cyclohexyl]-, hydrochloride(1:1), rel- Specification

The Benzamide,3,4-dichloro-N-methyl-N-[(1R,2S)-2-(1-pyrrolidinyl)cyclohexyl]-, hydrochloride(1:1), rel-, with its CAS registry number 112465-94-8, has the systematic name of 3,4-dichloro-N-methyl-N-(2-pyrrolidin-1-ylcyclohexyl)benzamide hydrochloride. And it has the molecular formula of C₁₈H₂₄Cl₂N₂O.ClH and molecular weight of 405.79. When store it, you should keep it in the cool, dry and well-ventilated place, and this chemical will not decompose if follow the using and storage specifications.

The characteristics of Benzamide,3,4-dichloro-N-methyl-N-[(1R,2S)-2-(1-pyrrolidinyl)cyclohexyl]-, hydrochloride(1:1), rel- are as follows: (1)ACD/LogP: 3.84; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.77; (4)ACD/LogD (pH 7.4): 1.53; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 2.38; (7)ACD/KOC (pH 5.5): 2.47; (8)ACD/KOC (pH 7.4): 14.26; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 23.55 Å²; (13)Flash Point: 268.6 °C; (14)Enthalpy of Vaporization: 80.85 kJ/mol; (15)Boiling Point: 520.6 °C at 760 mmHg; (16)Vapour Pressure: 3.39E-11 mmHg at 25°C.

What's more, the following datas could be converted into the molecular structure:
(1)SMILES:Cl.Clc1ccc(cc1Cl)C(=O)N(C)C2CCCCC2N3CCCC3
(2)InChI:InChI=1/C18H24Cl2N2O.ClH/c1-21(18(23)13-8-9-14(19)15(20)12-13)16-6-2-3-7-17(16)22-10-4-5-11-22;/h8-9,12,16-17H,2-7,10-11H2,1H3;1H
(3)InChIKey:WFUASZXAHZXJMX-UHFFFAOYAJ
(4)Std. InChI:InChI=1S/C18H24Cl2N2O.ClH/c1-21(18(23)13-8-9-14(19)15(20)12-13)16-6-2-3-7-17(16)22-10-4-5-11-22;/h8-9,12,16-17H,2-7,10-11H2,1H3;1H
(5)Std. InChIKey:WFUASZXAHZXJMX-UHFFFAOYSA-N

Product Name

U-54494A HYDROCHLORIDE

Benzamide,3,4-dichloro-N-methyl-N-[(1R,2S)-2-(1-pyrrolidinyl)cyclohexyl]-, hydrochloride(1:1), rel- Specification

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