N,N''-(5-(bis(2-chloroethyl)amino)-1,3-phenylene)bis-urea
Basic information
- CAS
58200-04-7- Standard SMILES
NC(=O)Nc1cc(NC(N)=O)cc(N(CCCl)CCCl)c1- InChIKey
FKEKQWMSUGGZTG-UHFFFAOYSA-N- Molecular formula
- C12H17Cl2N5O2
- Average molar mass
- 334.2 g/mol
- Monoisotopic mass
- 333.0759302
Overview
structure
Names & identifiers
- Preferred name
- N,N''-(5-(bis(2-chloroethyl)amino)-1,3-phenylene)bis-urea
- IUPAC
- [3-[bis(2-chloroethyl)amino]-5-(carbamoylamino)phenyl]urea
Names & synonyms
58200-04-7N,N''-(5-(Bis(2-chloroethyl)amino)-1,3-phenylene)bis-ureaDTXSID00206949RefChem:160877DTXCID80129440NSC246083[3-[bis(2-chloroethyl)amino]-5-(carbamoylamino)phenyl]ureaCHEMBL166119NSC 246083NSC-246083DS-007893N,N'-{5-[Bis(2-chloroethyl)amino]-1,3-phenylene}diurea
Show more names
Urea,N''-[5-[bis(2-chloroethyl)amino]-1,3-phenylene]bis-Urea, N,N''-(5-(bis(2-chloroethyl)amino)-1,3-phenylene)bis-
Database identifiers
- CAS
58200-04-7- PubChem CID
- 99593
- DTXSID
DTXSID00206949- ChEMBL
CHEMBL166119
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 329
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Related reactions
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Compound notes
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