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1-Ethylpropylamine

CAT: 0024-sc-224664Size: 25 gDry Ice: NoHazardous: No
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CAT#:0024-sc-224664Size:25 g
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CAS Number
616-24-0

Chemical Information

3-Pentanamine

Pentan-3-amine is a primary aliphatic amine that is pentane substituted by an amino group at position 3. Metabolite observed in cancer metabolism. It has a role as a human metabolite. It derives from a hydride of a pentane.

CAS Number616-24-0
PubChem CID12019
IUPAC Namepentan-3-amine
Molecular FormulaC5H13N
Molecular Weight87.16
XLogP1.1
Topological Polar Surface Area26
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count6
Formal Charge0
Complexity23
SMILES
CCC(CC)N
InChI
InChI=1S/C5H13N/c1-3-5(6)4-2/h5H,3-4,6H2,1-2H3
InChIKey
PQPFFKCJENSZKL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Pentanamine
CAS: 616-24-0
CID: 12019
Formula: C5H13N
MW: 87.16
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight87.16
XLogP31.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass87.104799419
Monoisotopic Mass87.104799419
Topological Polar Surface Area26 Ų
Heavy Atom Count6
Formal Charge0
Complexity23.1
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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