1,1-Dipropylurea
Basic information
- CAS
619-35-2- Standard SMILES
CCCN(CCC)C(N)=O- InChIKey
KTKDYVVUGTXLJK-UHFFFAOYSA-N- Molecular formula
- C7H16N2O
- Average molar mass
- 144.21 g/mol
- Monoisotopic mass
- 144.12626314
Names & identifiers
- Preferred name
- 1,1-Dipropylurea
- IUPAC
- 1,1-dipropylurea
- English name
- 1,1-dipropylurea
- Molecular formula
- C7H16N2O
- Molecular weight
- 144.21
Names & synonyms
1,1-DipropylureaN,N-DipropylureaUrea, N,N-dipropyl-XMC3HJ97XBDTXSID20210927RefChem:71130Urea, N,N-dipropyl-(9CI)DTXCID50133418210-592-4619-35-2Urea, 1,1-dipropyl-BRN 1755348
Show more names
EINECS 210-592-4dipropylureaUrea, N,N-dipropyl- (9CI)N,N-dipropyl-ureaUNII-XMC3HJ97XBSCHEMBL42387SCHEMBL423883-04-00-00262 (Beilstein Handbook Reference)
Database identifiers
- CAS
619-35-2- PubChem CID
- 69270
- DTXSID
DTXSID20210927- UNII
- XMC3HJ97XB
- EC Number
- 210-592-4
- Nikkaji
- J134.760H
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 46.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 97.8
Physicochemical properties
- Melting point
- 75.8 · 75.8-76.1 °C
- Boiling point
- 216.1 · 216.1±23.0 °C(Predicted)
- Density
- 0.947 · 0.947±0.06 g/cm3(Predicted)
- pka
- 15.78 · 15.78±0.50(Predicted)
- FDA UNII
- 3 HJ97XB · XMC3HJ97XB
Related reactions
2 records
Compound notes
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