Basic information
- CAS
123-13-7- Standard SMILES
CCCCCCN1CCCC1- InChIKey
OUKZCQQNMWXMNE-UHFFFAOYSA-N- Molecular formula
- C10H21N
- Average molar mass
- 155.28 g/mol
- Monoisotopic mass
- 155.16739967
Names & identifiers
- Preferred name
- 1-Hexylpyrrolidine
- IUPAC
- 1-hexylpyrrolidine
- English name
- 1-hexylpyrrolidine
- Molecular formula
- C10H21N
- Molecular weight
- 155.28
Names & synonyms
1-Hexylpyrrolidine123-13-7Pyrrolidine, 1-hexyl-1OX9CX56XCN-HEXYLPYRROLIDINEEINECS 204-604-7UNII-1OX9CX56XCDTXSID60153824RefChem:75944DTXCID7076315204-604-7hexylpyrrolidine
Show more names
SCHEMBL294888SCHEMBL1261593SCHEMBL4907893SCHEMBL5388937SCHEMBL6722997SCHEMBL16799683OUKZCQQNMWXMNE-UHFFFAOYSA-NNS00024009
Database identifiers
- CAS
123-13-7- PubChem CID
- 67155
- DTXSID
DTXSID60153824- UNII
- 1OX9CX56XC
- EC Number
- 204-604-7
- Nikkaji
- J297.782F
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 3.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 84.9
Physicochemical properties
- Boiling point
- 94 · 94-97 °C(Press: 27 Torr)
- Density
- 0.818 g/cm3 · 0.818 g/cm3(Temp: 25 °C)
- pka
- 10.76 · 10.76±0.20(Predicted)
- FDA UNII
- 1 OX9CX56XC · 1OX9CX56XC
Chemistry & industry
Suppliers2 total
陕西缔都医药化工有限公司029-81024372 17792795018 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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