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Home > Products > Specialty & Industrial Chemicals > Specialty Chemicals > 4-[5-({2-[(4-{5-[Bis(2-chloroethyl)amino]-1-methyl-1H-benzimidazol-2-yl}butanoyl)oxy]ethyl}(2-chloroethyl)amino)-1-methyl-1H-benzimidazol-2-yl]butanoic acid
4-[5-({2-[(4-{5-[Bis(2-chloroethyl)amino]-1-methyl-1H-benzimidazol-2-yl}butanoyl)oxy]ethyl}(2-chloroethyl)amino)-1-methyl-1H-benzimidazol-2-yl]butanoic acid structure, CAS 1228551-91-4

4-[5-({2-[(4-{5-[Bis(2-chloroethyl)amino]-1-methyl-1H-benzimidazol-2-yl}butanoyl)oxy]ethyl}(2-chloroethyl)amino)-1-methyl-1H-benzimidazol-2-yl]butanoic acid

CAS Number1228551-91-4

SynonymsExact Mass 678.225464; LogP 5.34; Index of Refraction 1.621; InChIKey RSSXIQCZWSXHBO-UHFFFAOYSA-N; Synonyms

Molecular FormulaC32H41Cl3N6O4

Molecular Weight680.065

Purity

Density1.3±0.1 g/cm3

Boiling Point889.7±65.0 °C at 760 mmHg

Melting Point

Flash Point

Appearance

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Cat. No.: 2A-1167809 Purity:
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Quality Control of [ 1228551-91-4 ] SDS Specification MoL

COA NMR CNMR HPLC LC-MS
Chemical & Physical Properties
CAS Number1228551-91-4
Catalog No.2A-1167809
Chinese Name4-{5-[{2-[(4-{5-[Bis(2-chloroethyl)amino]-1-methyl-1H-benzimidazol-2-yl}butanoyl)oxy]ethyl}(2-chloro
SynonymsExact Mass 678.225464; LogP 5.34; Index of Refraction 1.621; InChIKey RSSXIQCZWSXHBO-UHFFFAOYSA-N; Synonyms
Molecular FormulaC32H41Cl3N6O4
Molecular Weight680.065
Density1.3±0.1 g/cm3
Boiling Point889.7±65.0 °C at 760 mmHg
PubChem ID226581592
SMILESCn1c(CCCC(=O)O)nc2cc(N(CCCl)CCOC(=O)CCCc3nc4cc(N(CCCl)CCCl)ccc4n3C)ccc21
InChIInChI=1S/C32H41Cl3N6O4/c1-38-28-12-10-24(22-26(28)36-29(38)5-3-7-31(42)43)41(18-15-35)19-20-45-32(44)8-4-6-30-37-25-21-23(9-11-27(25)39(30)2)40(16-13-33)17-14-34/h9-12,21-22H,3-8,13-20H2,1-2H3,(H,42,43)
InChI KeyRSSXIQCZWSXHBO-UHFFFAOYSA-N
Transport InfoProduct name: 4-(5-((2-((4-(5-(bis(2-chloroethyl)amino)-1-methyl-1H-benzo[d]imidazol-2-yl)butyryl)oxy)ethyl)(2-chloroethyl)amino)-1-methyl-1H-benzo[d]imidazol-2-yl)butyric acid
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