N'-Phenyl-N-pyrrolidin-3-ylcarbamimidic acid
Basic information
- CAS
19996-87-3- Standard SMILES
O=C(Nc1ccccc1)NC1CCNC1- InChIKey
GWEMXUIOODAQAE-UHFFFAOYSA-N- Molecular formula
- C11H15N3O
- Average molar mass
- 205.26 g/mol
- Monoisotopic mass
- 205.12151211
Names & identifiers
- Preferred name
- N'-Phenyl-N-pyrrolidin-3-ylcarbamimidic acid
- IUPAC
- 1-phenyl-3-pyrrolidin-3-ylurea
- English name
- 1-Phenyl-3-(pyrrolidin-3-yl)urea
- Molecular formula
- C11H15N3O
- Molecular weight
- 205.26
Names & synonyms
19996-87-3DTXSID40941968N'-Phenyl-N-pyrrolidin-3-ylcarbamimidic acidRefChem:1090163DTXCID7013703881-PHENYL-3-(3-PYRROLIDINYL)UREA1-Phenyl-3-(pyrrolidin-3-yl)urea1-phenyl-3-pyrrolidin-3-ylurea(S)-1-phenyl-3-(pyrrolidin-3-yl)ureaUrea, N-phenyl-N'-3-pyrrolidinyl-BRN 03939201-Phenyl-3-(3-pyrrolidinyl)-urea
Show more names
Urea, 1-phenyl-3-(3-pyrrolidinyl)-SCHEMBL279793531-phenyl-3-pyrrolidin-3-yl-ureaN-phenyl-N'-(3-pyrrolidinyl)ureaDB-312317CS-0088161F21095N'-Phenyl-N-(pyrrolidin-3-yl)carbamimidic acid
Database identifiers
- CAS
19996-87-3- PubChem CID
- 209563
- DTXSID
DTXSID40941968- Nikkaji
- J93.323F
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 53.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 214
Physicochemical properties
- Boiling point
- 335 · 335.0±42.0 °C(Predicted)
- Density
- 1.17 · 1.17±0.1 g/cm3(Predicted)
- pka
- 12.11 · 12.11±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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