1,3-Diaminopropane dihydrochloride

C₃H₁₂Cl₂N₂CAS 10517-44-9147.04 g/mol

Open in Covalent MOL file

Primary amine

Properties

Molecular formula: C₃H₁₂Cl₂N₂
Molar mass: 147.04 g/mol
Exact mass: 146.0378 Da
Melting point: 242 °C
logP: 0.14Crippen estimate
Polar surface area: 52.0 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 2

Hazards

Danger

H301 Toxic if swallowed97.5% of notifiers
H311 Toxic in contact with skin97.5% of notifiers
H315 Causes skin irritation97.5% of notifiers
H319 Causes serious eye irritation97.5% of notifiers
H331 Toxic if inhaled97.5% of notifiers
H335 May cause respiratory irritation97.5% of notifiers

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

10517-44-9

SMILES

Cl.Cl.NCCCN

InChIKey

HYOCSVGEQMCOGE-UHFFFAOYSA-N

InChI

InChI=1S/C3H10N2.2ClH/c4-2-1-3-5;;/h1-5H2;2*1H

Weigh it out

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

Names and synonyms

3 names

1,3-Propanediamine, dihydrochloride
Trimethylenediamine dihydrochloride
1,3-Propanediamine dihydrochloride

Work with 1,3-Diaminopropane 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.

1,3-Diaminopropane109-76-2Free base

Similar compounds

Putrescine dihydrochloride333-93-783 % similar 1,5-Diaminopentane dihydrochloride1476-39-777 % similar Hexanediamine dihydrochloride6055-52-377 % similar Ethylenediamine hydrochloride18299-54-267 % similar Ethylenediamine hydrochloride333-18-667 % similar Butylamine hydrochloride3858-78-459 % similar 3-Amino-1-chloropropane hydrochloride6276-54-659 % similar Putrescine110-60-158 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(S)-(-)-1,2-Propanediamine dihydrochloride19777-66-3 (+)-1,2-Propanediamine dihydrochloride19777-67-4

Elsewhere

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