Basic information
- CAS
92023-87-5- Standard SMILES
Cc1cccc(NC(=O)Nc2cccc(C)n2)n1- InChIKey
YVORCDPOPJSRJC-UHFFFAOYSA-N- Molecular formula
- C13H14N4O
- Average molar mass
- 242.28 g/mol
- Monoisotopic mass
- 242.11676108
Names & identifiers
- Preferred name
- N,N'-Bis(6-methyl-2-pyridinyl)urea
- IUPAC
- 1,3-bis(6-methyl-2-pyridinyl)urea
- English name
- 1,3-bis(6-methylpyridin-2-yl)urea
- Molecular formula
- C13H14N4O
- Molecular weight
- 242.28
Names & synonyms
92023-87-5RefChem:358412N,N'-Bis(6-methyl-2-pyridinyl)urea1,3-bis(6-methylpyridin-2-yl)ureaN,N'-bis(6-methylpyridin-2-yl)ureaMFCD004414441,3-Bis-(6-methyl-pyridin-2-yl)-ureaSMR000013085Oprea1_699821MLS000073663CHEMBL1383562SCHEMBL14353530
Show more names
Urea, N,N'-bis(6-methyl-2-pyridinyl)-
DTXSID001295547HMS2320A181,3-bis(6-methyl-2-pyridyl)ureaSTK369230AKOS000265493N,Na(2)-Bis(6-methyl-2-pyridinyl)ureaSY087643CS-0358025
Database identifiers
- CAS
92023-87-5- PubChem CID
- 650730
- DTXSID
DTXSID001295547- ChEMBL
CHEMBL1383562- Nikkaji
- J978.877H
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 66.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 258
Physicochemical properties
- Melting point
- 194 °C · 194 °C
- Boiling point
- 311.4 · 311.4±42.0 °C(Predicted)
- Density
- 1.282 · 1.282±0.06 g/cm3(Predicted)
- pka
- 12.62 · 12.62±0.70(Predicted)
Chemistry & industry
Suppliers6 total
南京翔睿科技有限公司021-021-00000000 15715199582 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
上海林栎生物科技有限公司13761635123 · [email protected]
上海肯恩化学科技有限公司13701870891; 02152215958 · [email protected]
合肥钼凯医药科技有限公司18001872185; 18001872185 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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