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| Name |
N,N-bis(2-Chloroethyl)-4-(6-(5-(4-methyl-1-piperazinyl)(2,5'-bi-1H-benzimi dazol)-2'-yl)hexyl)-benzenamine, hydrochloride, hydrate (2:6:3) |
EINECS | N/A |
| CAS No. | 159277-20-0 | Density | g/cm3 |
| PSA | N/A | LogP | N/A |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C35H43 Cl2 N7 . 3 Cl H | Boiling Point | 862.4°Cat760mmHg |
| Molecular Weight | 768.74 | Flash Point | 475.4°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Mutation data reported. When heated to decomposition it emits toxic vapors of NOx, HCl and Cl−. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
N/A |
N,N-bis(2-Chloroethyl)-4-(6-(5-(4-methyl-1-piperazinyl)(2,5'-bi-1H-benzimi dazol)-2'-yl)hexyl)-benzenamine, hydrochloride, hydrate (2:6:3) Chemical Properties
IUPAC Name: N,N-bis(2-Chloroethyl)-4-[6-[6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]hexyl]aniline trihydrochloride
Synonyms of N,N-bis(2-Chloroethyl)-4-(6-(5-(4-methyl-1-piperazinyl)(2,5'-bi-1H-benzimi dazol)-2'-yl)hexyl)-benzenamine, hydrochloride, hydrate (2:6:3) (CAS NO.159277-20-0): N,N-bis(2-Chloroethyl)-4-[6-[6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]hexyl]aniline trihydrochloride
InChI: InChI=1/C35H43Cl2N7.3ClH/c1-42-20-22-44(23-21-42)29-13-15-31-33(25-29)41-35(40-31)27-10-14-30-32(24-27)39-34(38-30)7-5-3-2-4-6-26-8-11-28(12-9-26)43(18-16-36)19-17-37;;;/h8-15,24-25H,2-7,16-23H2,1H3,(H,38,39)(H,40,41);3*1H
InChIKey: KDIHFRKXUSYVDF-UHFFFAOYAT
Std. InChI: InChI=1S/C35H43Cl2N7.3ClH/c1-42-20-22-44(23-21-42)29-13-15-31-33(25-29)41-35(40-31)27-10-14-30-32(24-27)39-34(38-30)7-5-3-2-4-6-26-8-11-28(12-9-26)43(18-16-36)19-17-37;;;/h8-15,24-25H,2-7,16-23H2,1H3,(H,38,39)(H,40,41);3*1H
Std. InChIKey: KDIHFRKXUSYVDF-UHFFFAOYSA-N
CAS NO: 159277-20-0
Molecular Formula: C35H46Cl5N7
Molecular Weight: 742.0516
Molecular Structure : .png)
H bond acceptors: 7
H bond donors: 2
Freely Rotating Bonds: 14
Polar Surface Area: 45.36 Å2
Flash Point: 475.4 °C
Enthalpy of Vaporization: 125.33 kJ/mol
Boiling Point: 862.4 °C at 760 mmHg
Vapour Pressure: 3.99E-30 mmHg at 25°C
N,N-bis(2-Chloroethyl)-4-(6-(5-(4-methyl-1-piperazinyl)(2,5'-bi-1H-benzimi dazol)-2'-yl)hexyl)-benzenamine, hydrochloride, hydrate (2:6:3) Toxicity Data With Reference
| 1. | mic-smc 150 mg/L | MUREAV Mutation Research. 329 (1995),19. | ||
| 2. | mrc-smc 40 mg/L | MUREAV Mutation Research. 329 (1995),19. |
N,N-bis(2-Chloroethyl)-4-(6-(5-(4-methyl-1-piperazinyl)(2,5'-bi-1H-benzimi dazol)-2'-yl)hexyl)-benzenamine, hydrochloride, hydrate (2:6:3) Safety Profile
Mutation data reported. When N,N-bis(2-Chloroethyl)-4-(6-(5-(4-methyl-1-piperazinyl)(2,5'-bi-1H-benzimi dazol)-2'-yl)hexyl)-benzenamine, hydrochloride, hydrate (2:6:3) (CAS NO.159277-20-0) is heated to decomposition, it emits toxic vapors of NOx, HCl and Cl−.
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