Cadaverine

C₅H₁₄N₂CAS 462-94-2102.18 g/mol

Open in Covalent MOL file

Primary amine

Properties

Molecular formula: C₅H₁₄N₂
Molar mass: 102.18 g/mol
Exact mass: 102.1157 Da
Density: 0.873 g/mL (at 25 °C)
Melting point: 9 °C
Boiling point: 179 °C
pKa: 9.13, 10.25
Flash point: 62 °C (closed cup)
Water solubility: soluble
logP: 0.07Crippen estimate
Polar surface area: 52.0 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 4

Hazards

Danger

H302+H312 Harmful if swallowed or in contact with skin64.2% of notifiers
H302 Harmful if swallowed68.5% of notifiers
H312 Harmful in contact with skin71% of notifiers
H314 Causes severe skin burns and eye damage100% of notifiers
H318 Causes serious eye damage70.4% of notifiers

Aggregated from 162 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P405, P501

Identifiers

CAS number

462-94-2

SMILES

NCCCCCN

InChIKey

VHRGRCVQAFMJIZ-UHFFFAOYSA-N

InChI

InChI=1S/C5H14N2/c6-4-2-1-3-5-7/h1-7H2

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

7 names

1,5-Pentanediamine
1,5-Diaminopentane
Pentamethylenediamine
1,5-Pentamethylenediamine
1,5-Diamino-n-pentane
α,ω-Pentanediamine
1,5-Amylene diamine

Work with Cadaverine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

1,5-Diaminopentane dihydrochloride1476-39-7Salt

Similar compounds

Hexamethylenediamine124-09-4100 % similar 1,12-Dodecanediamine2783-17-7100 % similar Octamethylenediamine373-44-4100 % similar 1,7-Heptanediamine646-19-5100 % similar 1,9-Nonanediamine646-24-2100 % similar 1,10-Decanediamine646-25-3100 % similar Putrescine110-60-189 % similar Hexanediamine dihydrochloride6055-52-375 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

N-Ethyl-1,3-propanediamine10563-23-2 Dimethylaminopropylamine109-55-7 N,N'-Dimethyl-1,3-propanediamine111-33-1 N,N,N′-Trimethylethylenediamine142-25-6 N-Isopropylethylenediamine19522-67-9 Bis(dimethylamino)methane51-80-9 2,2-Dimethyl-1,3-propanediamine7328-91-8

Elsewhere

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