Putrescine dihydrochloride

C₄H₁₄Cl₂N₂CAS 333-93-7161.07 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₄H₁₄Cl₂N₂
Molar mass: 161.07 g/mol
Exact mass: 160.0534 Da
Melting point: 280 °C (decomposes)
logP: 0.53Crippen estimate
Polar surface area: 52.0 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 3

Hazards

Warning

H315 Causes skin irritation99% of notifiers
H319 Causes serious eye irritation43.5% of notifiers
H335 May cause respiratory irritation98.6% of notifiers

Aggregated from 209 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

333-93-7

SMILES

Cl.Cl.NCCCCN

InChIKey

XXWCODXIQWIHQN-UHFFFAOYSA-N

InChI

InChI=1S/C4H12N2.2ClH/c5-3-1-2-4-6;;/h1-6H2;2*1H

Weigh it out

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

Names and synonyms

5 names

1,4-Butanediamine, hydrochloride (1:2)
1,4-Butanediamine, dihydrochloride
Putrescine hydrochloride
1,4-Diaminobutane dihydrochloride
Tetramethylenediamine dihydrochloride

Reactions

PUTRESCINE DIHYDROCHLORIDE (1,4-Butanediamine dihydrochloride)product

Work with Putrescine dihydrochloride

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 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.

Putrescine110-60-1Free base

Similar compounds

1,5-Diaminopentane dihydrochloride1476-39-792 % similar Hexanediamine dihydrochloride6055-52-392 % similar 1,3-Diaminopropane dihydrochloride10517-44-983 % similar Hexamethylenediamine124-09-467 % similar Ethylenediamine hydrochloride18299-54-267 % similar 1,12-Dodecanediamine2783-17-767 % similar Ethylenediamine hydrochloride333-18-667 % similar Octamethylenediamine373-44-467 % similar

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

Elsewhere

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