Urea, 3-(6-butoxy-3-pyridyl)-1,1-dimethyl-
Basic information
- CAS
30180-75-7- Standard SMILES
CCCCOc1ccc(NC(=O)N(C)C)cn1- InChIKey
AHXQRHUJGFXWIQ-UHFFFAOYSA-N- Molecular formula
- C12H19N3O2
- Average molar mass
- 237.3 g/mol
- Monoisotopic mass
- 237.14772686
Names & identifiers
- Preferred name
- Urea, 3-(6-butoxy-3-pyridyl)-1,1-dimethyl-
- IUPAC
- 3-(6-butoxy-3-pyridinyl)-1,1-dimethylurea
- English name
- 3-(6-Butoxy-3-pyridyl)-1,1-dimethylurea
- Molecular formula
- C12H19N3O2
- Molecular weight
- 237.3
Names & synonyms
3-(6-Butoxy-3-pyridyl)-1,1-dimethylureaUrea, 3-(6-butoxy-3-pyridyl)-1,1-dimethyl-30180-75-7B63X2G8TCCNSC 222505BRN 0401256NSC-222505DTXSID001842585-22-11-00413 (Beilstein Handbook Reference)RefChem:203425DTXCID10106749NSC222505
Show more names
3-(6-Butoxy-3-pyridinyl)-1,1-dimethylureaUrea, N'-(6-butoxy-3-pyridinyl)-N,N-dimethyl-
UNII-B63X2G8TCCN'-(6-Butoxypyridin-3-yl)-N,N-dimethylurea
Database identifiers
- CAS
30180-75-7- PubChem CID
- 99419
- DTXSID
DTXSID00184258- UNII
- B63X2G8TCC
- Nikkaji
- J49.096B
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 54.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 234
Physicochemical properties
- Boiling point
- 406 · 406.0±45.0 °C(Predicted)
- Density
- 1.113 · 1.113±0.06 g/cm3(Predicted)
- pka
- 13.59 · 13.59±0.70(Predicted)
- FDA UNII
- 63 X2G8TCC · B63X2G8TCC
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Compound notes
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