(S)-(-)-1,2-Propanediamine dihydrochloride

C3H12Cl2N2CAS 19777-66-3147.04 g/mol

Open in Covalent MOL file
H2NNH2HClHCl
Primary amine

Properties

Molecular formula
C3H12Cl2N2
Molar mass
147.04 g/mol
Exact mass
146.0378 Da
logP
0.14Crippen estimate
Polar surface area
52.0 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
1
Stereocentres
Sin SMILES atom order

Hazards

Warning
Irritant (GHS07)

Aggregated from 46 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
19777-66-3
SMILES
C[C@H](N)CN.Cl.Cl
InChIKey
AEIAMRMQKCPGJR-QTNFYWBSSA-N
InChI
InChI=1S/C3H10N2.2ClH/c1-3(5)2-4;;/h3H,2,4-5H2,1H3;2*1H/t3-;;/m0../s1

Weigh it out

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

Names and synonyms

8 names
  • 1,2-Propanediamine, hydrochloride (1:2), (2S)-
  • 1,2-Propanediamine, dihydrochloride, L-
  • 1,2-Propanediamine, dihydrochloride, (S)-
  • 1,2-Propanediamine, dihydrochloride, (2S)-
  • (S)-1,2-Diaminopropane dihydrochloride
  • (S)-(-)-1,2-Diaminopropane dihydrochloride
  • (S)-Propane-1,2-diamine dihydrochloride
  • (2S)-Propane-1,2-diamine dihydrochloride

Work with (S)-(-)-1,2-Propanediamine 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.

1,2-Diaminopropane78-90-0Free base, stereo not defined (+)-1,2-Propanediamine dihydrochloride19777-67-4Enantiomer

Similar compounds

(R)-1-Fluoro-2-propylamine hydrochloride273734-17-152 % similar (S)-1-Fluoro-2-propylamine hydrochloride458560-63-952 % similar 1,3-Dimethylbutylamine hydrochloride71776-70-052 % similar (1,5-Dimethylhexyl)ammonium chloride5984-59-846 % similar 4-Methyl-2-hexanamine hydrochloride13803-74-244 % similar L-Beta-homoalanine hydrochloride58610-41-641 % similar (-)-sec-Butylamine13250-12-941 % similar sec-Butylamine13952-84-641 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1,3-Diaminopropane dihydrochloride10517-44-9

Elsewhere

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