Basic information
- CAS
65009-51-0- Standard SMILES
Cc1cccc(Br)c1NC(=O)NC(N)=NC(C)C.Cl- InChIKey
USQFDRCKNIRAIK-UHFFFAOYSA-N- Molecular formula
- C12H18BrClN4O
- Average molar mass
- 349.65 g/mol
- Monoisotopic mass
- 348.03525
Names & identifiers
- Preferred name
- Urea, N-(2-bromo-6-methylphenyl)-N'-(imino((1-methylethyl)amino)methyl)-, monohydrochloride
- IUPAC
- 1-(2-bromo-6-methylphenyl)-3-(N'-propan-2-ylcarbamimidoyl)urea;hydrochloride
Names & synonyms
Urea, N-(2-bromo-6-methylphenyl)-N'-(imino((1-methylethyl)amino)methyl)-, monohydrochlorideUrea, 1-(2-bromo-6-methylphenyl)-3-isopropylamidino-, hydrochloride65009-51-0DTXSID50215349N-(2-Bromo-6-methylphenyl)-N'-(imino(isopropylamino)methyl)-, hydrochlorideN-(2-Bromo-6-methylphenyl)-N'-(imino((1-methylethyl)amino)methyl)urea hydrochlorideRefChem:387953DTXCID00137840N-(2-Bromo-6-methylphenyl)-N'-[N'-(propan-2-yl)carbamimidoyl]urea--hydrogen chloride (1/1)
Database identifiers
- CAS
65009-51-0- PubChem CID
- 3049600
- DTXSID
DTXSID50215349
Properties
Computed structural properties
- Topological polar surface area
- 79.5 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 319
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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