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2,6-Dimethylbenzoic acid 4-[bis(2-chloroethyl)amino]phenyl ester

2,6-Dimethylbenzoic acid 4-[bis(2-chloroethyl)amino]phenyl ester structure

CAS No:
21667-01-6
Formula:
C19H21Cl2NO2
Chemical Name:
2,6-Dimethylbenzoic acid 4-[bis(2-chloroethyl)amino]phenyl ester
Synonyms:
BRN 3065889;4-[bis(2-chloroethyl)amino]phenyl 2,6-dimethylbenzoate;CHEMBL3246947;p-(Bis(2-chloroethyl)amino)phenol 2,6-dimethylbenzoate;p-(Bis(2-chloroethyl)amino)phenyl 2,6-dimethylbenzoate;[4-[bis(2-chloroethyl)amino]phenyl] 2,6-dimethylbenzoate;DTXSID50944268;Phenol, p-(bis(2-chloroethyl)amino)-, 2,6-dimethylbenzoate;ZINC5420092;Benzoic acid, 2,6-dimethyl-, p-(bis(2-chloroethyl)amino)phenyl ester

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2,6-Dimethylbenzoic acid 4-[bis(2-chloroethyl)amino]phenyl ester Basic Attributes

Molecular Weight：

366.282

Exact Mass：

365.095

Characteristics

PSA：

29.5

XLogP3：

5.4

Density：

1.2425 (rough estimate)

Toxicity：

Peritoneal-rat LD50: 290 mg/kg; peritoneal-mouse LD50: 500 mg/kg

Flammability characteristics：

Flammable; burning produces toxic nitrogen oxides and chloride fumes

Safety Information

Storage features：

Treasury is ventilated, low temperature and dry; stored separately from food materials

Toxicity

Toxicity class：

highly toxic

Computed Properties

Molecular Weight:366.3
XLogP3:5.4
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:8
Exact Mass:365.0949343
Monoisotopic Mass:365.0949343
Topological Polar Surface Area:29.5
Heavy Atom Count:24
Complexity:370
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2,6-Dimethylbenzoic acid 4-[bis(2-chloroethyl)amino]phenyl ester

Basic Attributes
Characteristics
Safety Information
Toxicity
Computed Properties
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2,6-Dimethylbenzoic acid 4-[bis(2-chloroethyl)amino]phenyl ester

SDS

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