2-({4-[bis(2-chloroethyl)amino]-2-methylphenyl}diazenyl)benzoic acid (Q27115889)

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chemical compound

CB 1414
Azo-mustard
2-(4-bis(2-chloroethyl)amino-2-methyl)phenylazobenzoic acid
4'-(di-2''-chloroethylamino)-2'-methylazobenzene-2-carboxylic acid
2'-carboxy-2-methylphenylazo nitrogen mustard
4-(N,N-di-2''-chloroethylamino)-2-methyl-2'-carboxyazobenzene

Language	Label	Description	Also known as
English	2-({4-[bis(2-chloroethyl)amino]-2-methylphenyl}diazenyl)benzoic acid	chemical compound	CB 1414 Azo-mustard 2-(4-bis(2-chloroethyl)amino-2-methyl)phenylazobenzoic acid 4'-(di-2''-chloroethylamino)-2'-methylazobenzene-2-carboxylic acid 2'-carboxy-2-methylphenylazo nitrogen mustard 4-(N,N-di-2''-chloroethylamino)-2-methyl-2'-carboxyazobenzene

Statements

type of chemical entity

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chemical compound

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379.085419±0 dalton

1 reference

language of work or name

2-[(E)-{4-[Bis(2-chloroethyl)amino]-2-methylphenyl}diazenyl]benzoic acid (English)

6 October 2016

chemical formula

C₁₈H₁₉Cl₂N₃O₂

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CC1=CC(=CC=C1N=NC2=CC=CC=C2C(=O)O)N(CCCl)CCCl

1 reference

language of work or name

2-({4-[bis(2-chloroethyl)amino]-2-methylphenyl}diazenyl)benzoic acid (English)

6 October 2016

isomeric SMILES

CC1=CC(=CC=C1/N=N/C2=CC=CC=C2C(=O)O)N(CCCl)CCCl

1 reference

language of work or name

2-({4-[bis(2-chloroethyl)amino]-2-methylphenyl}diazenyl)benzoic acid (English)

6 October 2016

Identifiers

InChI=1S/C18H19Cl2N3O2/c1-13-12-14(23(10-8-19)11-9-20)6-7-16(13)21-22-17-5-3-2-4-15(17)18(24)25/h2-7,12H,8-11H2,1H3,(H,24,25)/b22-21+

1 reference

language of work or name

2-({4-[bis(2-chloroethyl)amino]-2-methylphenyl}diazenyl)benzoic acid (English)

6 October 2016

JRQFCUCILBFUNR-QURGRASLSA-N

2 references

language of work or name

2-({4-[bis(2-chloroethyl)amino]-2-methylphenyl}diazenyl)benzoic acid (English)

6 October 2016

ChEBI release 2020-09-01

CAS Registry Number

1 reference

language of work or name

2-({4-[bis(2-chloroethyl)amino]-2-methylphenyl}diazenyl)benzoic acid (English)

6 October 2016

1 reference

language of work or name

2-[(E)-{4-[Bis(2-chloroethyl)amino]-2-methylphenyl}diazenyl]benzoic acid (English)

6 October 2016

Reaxys registry number

3443540

1 reference

language of work or name

2-({4-[bis(2-chloroethyl)amino]-2-methylphenyl}diazenyl)benzoic acid (English)

6 October 2016

mapping relation type

1 reference

language of work or name

2-({4-[bis(2-chloroethyl)amino]-2-methylphenyl}diazenyl)benzoic acid (English)

6 October 2016

0 references

1 reference

language of work or name

2-({4-[bis(2-chloroethyl)amino]-2-methylphenyl}diazenyl)benzoic acid (English)

6 October 2016

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