2-(3-Phenoxyphenyl)pyrrolidine

HCID 3879481
NotesReactions
Substructure searchFind similar structures

Basic information

CAS
68548-75-4
Standard SMILES
c1ccc(Oc2cccc(C3CCCN3)c2)cc1
InChIKey
XTMLHQBXJIIWOX-UHFFFAOYSA-N
Molecular formula
C16H17NO
Average molar mass
239.31 g/mol
Monoisotopic mass
239.13101416

Names & identifiers

Preferred name
2-(3-Phenoxyphenyl)pyrrolidine
IUPAC
2-(3-phenoxyphenyl)pyrrolidine
English name
2-(3-Phenoxyphenyl)-pyrrolidine
Molecular formula
C16H17NO
Molecular weight
239.31

Names & synonyms

2-(3-phenoxyphenyl)pyrrolidine68548-75-4MFCD026635242-(3-PHENOXYPHENYL)-PYRROLIDINE1-((2S)PYRROLIDIN-2-YL)-3-PHENOXYBENZENE867326-75-8Pyrrolidine, 2-(3-phenoxyphenyl)-SCHEMBL1355770DTXSID30397718AKOS014015882CS-0270181H40149
Show more names
EN300-1865619

Database identifiers

CAS
68548-75-4
PubChem CID
3879481
DTXSID
DTXSID30397718

Properties

Computed structural properties

XLogP
3.3
Topological polar surface area
21.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
3
Heavy atoms
18

Physicochemical properties

Boiling point
361 ℃ · 361℃
Density
1.09 · 1.090
Flash point
149 ℃ · 149℃
storage temp.
2 · 2-8°C
pka
9.77 · 9.77±0.10(Predicted)

Chemistry & industry

Suppliers10 total

上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
凯方医药科技（上海）有限公司021-67220633 021-54824098 · [email protected]
北京蓝博特科技有限公司010-56330744 18310155299 · [email protected]
上海波以尔化工有限公司021-50182298 021-50180596 · [email protected]
上海再启生物技术有限公司021-54824098, 021-37212705 021-37212706, 13391256916 · [email protected]

Related reactions

1 records
New reaction record

Compound notes

Loading…

CAS 68548-75-4 2-(3-Phenoxyphenyl)pyrrolidine (HCID 3879481)｜Huagongshe