Basic information
- CAS
78371-84-3- Standard SMILES
CCN(CC)CCN(C(=O)Nc1c(C)cccc1Cl)c1c(C)cccc1Cl.Cl- InChIKey
QICSTXCWADCKNA-UHFFFAOYSA-N- Molecular formula
- C21H28Cl3N3O
- Average molar mass
- 444.8 g/mol
- Monoisotopic mass
- 443.129796
Names & identifiers
- Preferred name
- Urea, 1,3-bis(6-chloro-o-tolyl)-1-(2-(diethylamino)ethyl)-, hydrochloride
- IUPAC
- 1,3-bis(2-chloro-6-methylphenyl)-1-[2-(diethylamino)ethyl]urea;hydrochloride
- English name
- 1,3-bis(2-chloro-6-methyl-phenyl)-1-(2-diethylaminoethyl)urea hydrochl oride
- Molecular formula
- C21H28Cl3N3O
- Molecular weight
- 0
Names & synonyms
78371-84-3C 3183Urea, 1,3-bis(6-chloro-o-tolyl)-1-(2-(diethylamino)ethyl)-, hydrochlorideDTXSID102290281,3-Bis(6-chloro-o-tolyl)-1-(2-(diethylamino)ethyl)urea hydrochlorideRefChem:387209DTXCID30151519N,N'-Bis(2-chloro-6-methylphenyl)-N-[2-(diethylamino)ethyl]urea--hydrogen chloride (1/1)N,N'-bis-(2-chloro-6-methyl-phenyl)-N-(2-diethylamino-ethyl)-urea1,3-bis(2-chloro-6-methyl-phenyl)-1-(2-diethylaminoethyl)urea hydrochl orideUrea,N,N'-bis(2-chloro-6-methylphenyl)-N'-[2-(diethylamino)ethyl]-, hydrochloride(1:1)
Database identifiers
- CAS
78371-84-3- PubChem CID
- 3060892
- DTXSID
DTXSID10229028
Properties
Computed structural properties
- Topological polar surface area
- 35.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 461
Physicochemical properties
- Toxicity
- 2 % · eye-rbt 2% MLD ARZNAD 8,664,58
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Toxicity
- eye-rbt 2% MLD ARZNAD 8,664,58
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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