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Pentane-1,5-diamine

CAT: 0127-OR59990Size: 1 EachDry Ice: NoHazardous: No
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CAS Number
462-94-2
Synonyms
1,5-Diaminopentane
MDL Number
MFCD00008239
Purity
95%
Smiles
NCCCCCN

Chemical Information

Cadaverine

Cadaverine is an alkane-alpha,-diamine comprising a straight-chain pentane core with amino substitutents at positions 1 and 5. A colourless syrupy liquid diamine with a distinctive unpleasant odour, it is a homologue of putresceine and is formed by the bacterial decarboxylation of lysine that occurs during protein hydrolysis during putrefaction of animal tissue. It is also found in plants such as soyabean. It has a role as a mouse metabolite, a plant metabolite, an Escherichia coli metabolite and a Daphnia magna metabolite. It is a conjugate base of a cadaverine(2+).

CAS Number462-94-2
PubChem CID273
IUPAC Namepentane-1,5-diamine
Molecular FormulaC5H14N2
Molecular Weight102.18
XLogP-0.6
Topological Polar Surface Area52
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Heavy Atom Count7
Formal Charge0
Complexity25
SMILES
C(CCN)CCN
InChI
InChI=1S/C5H14N2/c6-4-2-1-3-5-7/h1-7H2
InChIKey
VHRGRCVQAFMJIZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Cadaverine
CAS: 462-94-2
CID: 273
Formula: C5H14N2
MW: 102.18
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight102.18
XLogP3-0.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass102.115698455
Monoisotopic Mass102.115698455
Topological Polar Surface Area52 Ų
Heavy Atom Count7
Formal Charge0
Complexity25.3
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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