2-Neopentylpyridine

HCID 564352
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Basic information

CAS
31590-84-8
Standard SMILES
CC(C)(C)Cc1ccccn1
InChIKey
KNDJNVWEKSLWOV-UHFFFAOYSA-N
Molecular formula
C10H15N
Average molar mass
149.23 g/mol
Monoisotopic mass
149.12044948

Names & identifiers

Preferred name
2-Neopentylpyridine
IUPAC
2-(2,2-dimethylpropyl)pyridine
English name
2-(2,2-Dimethylpropyl)pyridine
Molecular formula
C10H15N
Molecular weight
149.23

Names & synonyms

2-Neopentylpyridine31590-84-82-(2,2-dimethylpropyl)pyridinePyridine, 2-neopentyl-2-Neopentylpyridine #SCHEMBL75465SCHEMBL1515094DTXSID303403852-(2,2-Dimethylpropyl )pyridineDB-301653Pyridine, 2-(2,2-dimethylpropyl)-

Database identifiers

CAS
31590-84-8
PubChem CID
564352
DTXSID
DTXSID30340385
Nikkaji
J109.075E

Properties

Computed structural properties

XLogP
2.9
Topological polar surface area
12.9 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
2
Heavy atoms
11

Physicochemical properties

Boiling point
197.7 · 197.7±9.0 °C(Predicted)
Density
0.904 · 0.904±0.06 g/cm3(Predicted)
pka
5.96 · 5.96±0.19(Predicted)

Related reactions

4 records
New reaction record

Compound notes

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