Basic information
- CAS
35812-43-2- Standard SMILES
O=C(O)c1cccnc1NC1CCCCC1- InChIKey
INQLAEJSGOOWOP-UHFFFAOYSA-N- Molecular formula
- C12H16N2O2
- Average molar mass
- 220.27 g/mol
- Monoisotopic mass
- 220.12117776
Names & identifiers
- Preferred name
- Nicotinic acid, 2-(cyclohexylamino)-
- IUPAC
- 2-(cyclohexylamino)pyridine-3-carboxylic acid
- English name
- S-217
- Molecular formula
- C12H16N2O2
- Molecular weight
- 220.27
Names & synonyms
2-(Cyclohexylamino)nicotinic acid35812-43-2Nicotinic acid, 2-(cyclohexylamino)-BRN 0479156S 2185-22-13-00595 (Beilstein Handbook Reference)DTXSID70189351RefChem:365632DTXCID001118422-(cyclohexylamino)pyridine-3-carboxylic acidOprea1_081802Oprea1_110974
Show more names
S-2173-Pyridinecarboxylic acid, 2-(cyclohexylamino)-
2-(Cyclohexylamino)nicotinicacidAKOS000215622DB-093352SR-01000315894SR-01000315894-1
Database identifiers
- CAS
35812-43-2- PubChem CID
- 215537
- DTXSID
DTXSID70189351- Nikkaji
- J68.297G
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 62.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 239
Physicochemical properties
- Melting point
- 191 · 191-192 °C(Solv: ethanol (64-17-5); water (7732-18-5))
- Boiling point
- 411.2 · 411.2±30.0 °C(Predicted)
- Density
- 1.243 · 1.243±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 1.83 · 1.83±0.36(Predicted)
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hazard_class
- IRRITANT
Chemistry & industry
Suppliers4 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
赛纳斯特化学（欢迎点击联系）021-60343070
Alchem Pharmtech,Inc.8485655694 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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