Basic information
- CAS
6121-21-7- Standard SMILES
CCCNC(=O)N(Cc1ccccc1)C(N)=O- InChIKey
ACWRUHAWRCDRSE-UHFFFAOYSA-N- Molecular formula
- C12H17N3O2
- Average molar mass
- 235.28 g/mol
- Monoisotopic mass
- 235.13207679
Names & identifiers
- Preferred name
- Imidodicarbonic diamide, N-(phenylmethyl)-N'-propyl-
- IUPAC
- 1-benzyl-1-carbamoyl-3-propylurea
Names & synonyms
1-Propyl-5-benzylbiuretImidodicarbonic diamide, N-(phenylmethyl)-N'-propyl-N-(Phenylmethyl)-N'-propylimidodicarbonic diamide6121-21-7DTXSID90210131RefChem:348979DTXCID90132622N-Benzyl-N-propyl-2-imidodicarbonic diamide
Database identifiers
- CAS
6121-21-7- PubChem CID
- 201505
- DTXSID
DTXSID90210131
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 75.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 262
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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