Basic information
- CAS
97247-37-5- Standard SMILES
c1cncc(CNC2CCCCC2)c1- InChIKey
ZMEDRAGEALQOBI-UHFFFAOYSA-N- Molecular formula
- C12H18N2
- Average molar mass
- 190.28 g/mol
- Monoisotopic mass
- 190.14699858
Names & identifiers
- Preferred name
- N-(pyridin-3-ylmethyl)cyclohexanamine
- IUPAC
- N-(pyridin-3-ylmethyl)cyclohexanamine
- English name
- N-(pyridin-3-ylmethyl)cyclohexanamine
- Molecular formula
- C12H18N2
- Molecular weight
- 190.28
Names & synonyms
N-(pyridin-3-ylmethyl)cyclohexanamine97247-37-5Cyclohexyl-pyridin-3-ylmethyl-aminecyclohexyl(3-pyridylmethyl)amineN-[(pyridin-3-yl)methyl]cyclohexanamineN-(Pyridin-3-ylmethyl)cyclohexanamine x2hclChemDiv2_0014933-cyclohexylaminomethylpyridineSCHEMBL3686059CHEMBL16251323-(cyclohexylaminomethyl)pyridineDTXSID20353888
Show more names
AKOS JY2090034UKRORGSYN-BB BBV-1185463-Pyridinemethanamine, N-cyclohexyl-N-(pyridin-3-ylmethyl)cyclohexanamine(SALTDATA: 2HCl)
ZMEDRAGEALQOBI-UHFFFAOYSA-NHMS1373D19N-(3-pyridylmethyl)cyclohexanamineCCG-24603SBB018012AKOS000222657N-cyclohexyl-[(3-pyridyl)methyl]amineSB55403
Database identifiers
- CAS
97247-37-5- PubChem CID
- 757273
- DTXSID
DTXSID20353888- ChEMBL
CHEMBL1625132- Nikkaji
- J2.253.475K
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 24.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 152
Physicochemical properties
- Boiling point
- 313.5 · 313.5±17.0 °C(Predicted)
- Density
- 1.01 · 1.01±0.1 g/cm3(Predicted)
- pka
- 8.93 · 8.93±0.20(Predicted)
Chemistry & industry
Suppliers5 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
河北贝克曼生物科技有限公司15961617865 15961617865 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
武汉凯威斯科技有限公司027-67849912 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
6 records
Compound notes
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