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2-Hexylpyrrolidine

CAT: 0127-OR903918Size: 1 EachDry Ice: NoHazardous: No
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CAS Number
3447-02-7
MDL Number
MFCD02663420
Purity
95%
Smiles
CCCCCCC1CCCN1

Chemical Information

2-Hexylpyrrolidine
CAS Number3447-02-7
PubChem CID3362541
IUPAC Name2-hexylpyrrolidine
Molecular FormulaC10H21N
Molecular Weight155.28
XLogP3.2
Topological Polar Surface Area12
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count5
Heavy Atom Count11
Formal Charge0
Complexity90
SMILES
CCCCCCC1CCCN1
InChI
InChI=1S/C10H21N/c1-2-3-4-5-7-10-8-6-9-11-10/h10-11H,2-9H2,1H3
InChIKey
KAPSVPRGMIZSEN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Hexylpyrrolidine
CAS: 3447-02-7
CID: 3362541
Formula: C10H21N
MW: 155.28
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight155.28
XLogP33.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count5
Exact Mass155.167399674
Monoisotopic Mass155.167399674
Topological Polar Surface Area12 Ų
Heavy Atom Count11
Formal Charge0
Complexity90.9
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes