6-Chloro-2-[4-[ethyl(2-hydroxyethyl)amino]phenyl]-1-methylbenz[cd]indolium lactate

CAS
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CAS
93981-03-4
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Purity
96%
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Catalog Number

ACM93981034

Product Name

6-Chloro-2-[4-[ethyl(2-hydroxyethyl)amino]phenyl]-1-methylbenz[cd]indolium lactate

Structure

CAS

93981-03-4

What is the molecular formula of 6-Chloro-2-[4-[ethyl(2-hydroxyethyl)amino]phenyl]-1-methylbenz[cd]indolium lactate?

The molecular formula is C25H27ClN2O4.

When was 6-Chloro-2-[4-[ethyl(2-hydroxyethyl)amino]phenyl]-1-methylbenz[cd]indolium lactate created and last modified?

It was created on August 20, 2009, and last modified on December 30, 2023.

What is the IUPAC name of 6-Chloro-2-[4-[ethyl(2-hydroxyethyl)amino]phenyl]-1-methylbenz[cd]indolium lactate?

The IUPAC name is 2-[4-(6-chloro-1-methylbenzo[cd]indol-1-ium-2-yl)-N-ethylanilino]ethanol; 2-hydroxypropanoate.

What is the InChI of 6-Chloro-2-[4-[ethyl(2-hydroxyethyl)amino]phenyl]-1-methylbenz[cd]indolium lactate?

The InChI is InChI=1S/C22H22ClN2O.C3H6O3/c1-3-25(13-14-26)16-9-7-15(8-10-16)22-18-6-4-5-17-19(23)11-12-20(21(17)18)24(22)2;1-2(4)3(5)6/h4-12,26H,3,13-14H2,1-2H3;2,4H,1H3,(H,5,6)/q+1;/p-1.

How many hydrogen bond donor counts does 6-Chloro-2-[4-[ethyl(2-hydroxyethyl)amino]phenyl]-1-methylbenz[cd]indolium lactate have?

It has 2 hydrogen bond donor counts.

What is the exact mass of 6-Chloro-2-[4-[ethyl(2-hydroxyethyl)amino]phenyl]-1-methylbenz[cd]indolium lactate?

The exact mass is 454.1659350 g/mol.

How many rotatable bond counts does 6-Chloro-2-[4-[ethyl(2-hydroxyethyl)amino]phenyl]-1-methylbenz[cd]indolium lactate have?

It has 5 rotatable bond counts.

What is the topological polar surface area of 6-Chloro-2-[4-[ethyl(2-hydroxyethyl)amino]phenyl]-1-methylbenz[cd]indolium lactate?

The topological polar surface area is 86.8 Å2.

How many defined atom stereocenter counts does 6-Chloro-2-[4-[ethyl(2-hydroxyethyl)amino]phenyl]-1-methylbenz[cd]indolium lactate have?

It has 0 defined atom stereocenter counts.

What is the covalently-bonded unit count of 6-Chloro-2-[4-[ethyl(2-hydroxyethyl)amino]phenyl]-1-methylbenz[cd]indolium lactate?

The covalently-bonded unit count is 2.

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