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547757-23-3

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Basic Information
CAS No.: 547757-23-3
Name: BMS-345541
Molecular Structure:
Molecular Structure of 547757-23-3 (BMS-345541)
Formula: C14H18ClN5
Molecular Weight: 291.78
Synonyms: N-(1,8-Dimethylimidazo[1,2-a]quinoxalin-4-yl)-1,2-ethanediamine hydrochloride
Boiling Point: 449.5 °C at 760 mmHg
Flash Point: 225.6 °C
Solubility: DMSO: 18 mg/mL, soluble in water
PSA: 68.24000
LogP: 3.44520
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Specification

The BMS345541 (HCl Salt), with CAS registry number 547757-23-3, has the systematic name of N-(1,8-dimethylimidazo[1,2-a]quinoxalin-4-yl)ethane-1,2-diamine hydrochloride. This chemical should be stored at the temperature of 2-8°C. And the chemical formula of this chemical is C14H18ClN5.

Physical properties of BMS345541 (HCl Salt): (1)ACD/LogP: 0.80; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 5; (4)#H bond donors: 3; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 36.67 Å2; (7)Flash Point: 225.6 °C; (8)Enthalpy of Vaporization: 70.82 kJ/mol; (9)Boiling Point: 449.5 °C at 760 mmHg; (10)Vapour Pressure: 2.85E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cl.n1c3c(n2c(cnc2c1NCCN)C)cc(cc3)C
(2)InChI: InChI=1/C14H17N5.ClH/c1-9-3-4-11-12(7-9)19-10(2)8-17-14(19)13(18-11)16-6-5-15;/h3-4,7-8H,5-6,15H2,1-2H3,(H,16,18);1H
(3)InChIKey: MIDKPVLYXNLFGZ-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C14H17N5.ClH/c1-9-3-4-11-12(7-9)19-10(2)8-17-14(19)13(18-11)16-6-5-15;/h3-4,7-8H,5-6,15H2,1-2H3,(H,16,18);1H
(5)Std. InChIKey: MIDKPVLYXNLFGZ-UHFFFAOYSA-N