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Amylamine

CAT: 0024-sc-239249ASize: 50 mLDry Ice: NoHazardous: No
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CAT#:0024-sc-239249ASize:50 mL
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CAS Number
110-58-7

Chemical Information

Pentylamine

Pentan-1-amine is a primary aliphatic amine that is n-pentane in which a hydrogen of one of the methyl groups is replaced by an amino group. A water-soluble liquid with boiling point 104C, it is a strong irritant. It is a conjugate base of a pentan-1-aminium.

CAS Number110-58-7
PubChem CID8060
IUPAC Namepentan-1-amine
Molecular FormulaC5H13N
Molecular Weight87.16
XLogP1.5
Topological Polar Surface Area26
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Heavy Atom Count6
Formal Charge0
Complexity19
SMILES
CCCCCN
InChI
InChI=1S/C5H13N/c1-2-3-4-5-6/h2-6H2,1H3
InChIKey
DPBLXKKOBLCELK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Pentylamine
CAS: 110-58-7
CID: 8060
Formula: C5H13N
MW: 87.16
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight87.16
XLogP31.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Exact Mass87.104799419
Monoisotopic Mass87.104799419
Topological Polar Surface Area26 Ų
Heavy Atom Count6
Formal Charge0
Complexity19.9
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