Putrescine
Properties
- Molecular formula
- C4H12N2
- Molar mass
- 88.15 g/mol
- Exact mass
- 88.1000 Da
- Density
- 0.877 g/mL (at 25 °C)
- Melting point
- 27.5 °C
- Boiling point
- 158.5 °C
- pKa
- 10.8 (conjugate acid)
- Water solubility
- soluble
- logP
- -0.32Crippen estimate
- Polar surface area
- 52.0 Ų
- H-bond donors / acceptors
- 2 / 2
- Rotatable bonds
- 3
Hazards
Danger
- H226 Flammable liquid and vapor29.1% of notifiers
- H290 May be corrosive to metals12.1% of notifiers
- H302+H312 Harmful if swallowed or in contact with skin15.8% of notifiers
- H302 Harmful if swallowed89.5% of notifiers
- H311 Toxic in contact with skin68% of notifiers
- H312 Harmful in contact with skin21.5% of notifiers
- H314 Causes severe skin burns and eye damage88.7% of notifiers
- H318 Causes serious eye damage68% of notifiers
- H330 Fatal if inhaled83.4% of notifiers
- H412 Harmful to aquatic life with long lasting effects42.9% of notifiers
Aggregated from 247 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P233, P234, P240, P241, P242, P243, P260, P262, P264, P264+P265, P270, P271, P273, P280, P284, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P320, P321, P330, P361+P364, P362+P364, P363, P370+P378, P390, P403+P233, P403+P235, P405, P406, P501
Identifiers
CAS number
110-60-1SMILES
NCCCCNInChIKey
KIDHWZJUCRJVML-UHFFFAOYSA-NInChI
InChI=1S/C4H12N2/c5-3-1-2-4-6/h1-6H2Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
11 names
- 1,4-Butanediamine
- Tetramethylenediamine
- 1,4-Diaminobutane
- Putrescin
- 1,4-Butylenediamine
- 1,4-Tetramethylenediamine
- 1,4-Diamino-n-butane
- α,ω-Butanediamine
- NSC 60545
- Putramine
- Putrascine
Work with Putrescine
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.
Similar compounds
Hexamethylenediamine124-09-489 % similar
1,12-Dodecanediamine2783-17-789 % similar
Octamethylenediamine373-44-489 % similar
Cadaverine462-94-289 % similar
1,7-Heptanediamine646-19-589 % similar
1,9-Nonanediamine646-24-289 % similar
1,10-Decanediamine646-25-389 % similar
1,3-Diaminopropane109-76-278 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.