Pentane-1,5-diamine

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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 Number	462-94-2
PubChem CID	273
IUPAC Name	pentane-1,5-diamine
Molecular Formula	C5H14N2
Molecular Weight	102.18
XLogP	-0.6
Topological Polar Surface Area	52
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Heavy Atom Count	7
Formal Charge	0
Complexity	25

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

CAS: 462-94-2

CID: 273

Formula: C5H14N2

MW: 102.18

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	102.18
XLogP3	-0.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	102.115698455
Monoisotopic Mass	102.115698455
Topological Polar Surface Area	52 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	25.3
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Catalog	Name
T4895-01	Pentane-1,5-diamine dihydrochloride
HY-W016750-01	Pentane-1,5-diamine (dihydrochloride)
HY-W016750R-01	Pentane-1,5-diamine (dihydrochloride) (Standard)
CCA94041-01	Pentane-1,2-diamine
TRC-P207700-10MG	1,5-Pentane-1,1,5,5-d4-diamine
FA180929-01	3- (2-Aminoethyl) pentane-1,5-diamine
PDA78967-01	Pentane-1,4-diamine dihydrochloride
QDA53285-01	N1- (3-Aminopropyl) pentane-1,5-diamine trihydrochloride
JBA99896-01	Pentane-2,4-diamine dihydrochloride
XFA92761-01	Bicyclo[1.1.1]pentane-1,3-diamine dihydrochloride

Pentane-1,5-diamine

Chemical Information

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