Urea, 1,3-bis(6-chloro-o-tolyl)-1-(2-pyrrolidinylethyl)-, hydrochloride
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Basic information
- CAS
78371-85-4- Standard SMILES
Cc1cccc(Cl)c1NC(=O)N(CCN1CCCC1)c1c(C)cccc1Cl.Cl- InChIKey
JJNOYDFFRLEMAO-UHFFFAOYSA-N- Molecular formula
- C21H26Cl3N3O
- Average molar mass
- 442.8 g/mol
- Monoisotopic mass
- 441.114146
Names & identifiers
- Preferred name
- Urea, 1,3-bis(6-chloro-o-tolyl)-1-(2-pyrrolidinylethyl)-, hydrochloride
- IUPAC
- 1,3-bis(2-chloro-6-methylphenyl)-1-(2-pyrrolidin-1-ylethyl)urea;hydrochloride
- English name
- 1,3-bis(2-chloro-6-methyl-phenyl)-1-(2-pyrrolidin-1-ylethyl)urea hydro chloride
- Molecular formula
- C21H26Cl3N3O
- Molecular weight
- 0
Names & synonyms
78371-85-4C 3218Urea, 1,3-bis(6-chloro-o-tolyl)-1-(2-pyrrolidinylethyl)-, hydrochlorideDTXSID702290291,3-Bis(6-chloro-o-tolyl)-1-(2-pyrrolidinylethyl)urea hydrochlorideRefChem:387210DTXCID40151520N,N'-Bis(2-chloro-6-methylphenyl)-N-[2-(pyrrolidin-1-yl)ethyl]urea--hydrogen chloride (1/1)1,3-bis(2-chloro-6-methyl-phenyl)-1-(2-pyrrolidin-1-ylethyl)urea hydro chlorideUrea,N,N'-bis(2-chloro-6-methylphenyl)-N'-[2-(1-pyrrolidinyl)ethyl]-, hydrochloride(1:1)
Database identifiers
- CAS
78371-85-4- PubChem CID
- 3060894
- DTXSID
DTXSID70229029
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 35.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 486
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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