1,2-Diaminopropane

C3H10N2CAS 78-90-074.13 g/mol

Open in Covalent MOL file
H2NNH2
Primary amine

Properties

Molecular formula
C3H10N2
Molar mass
74.13 g/mol
Exact mass
74.0844 Da
Density
0.9 g/mL
Melting point
−17 °C
Boiling point
117 °C
Flash point
33 °C (closed cup)
Water solubility
miscible
logP
-0.71Crippen estimate
Polar surface area
52.0 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
1

Hazards

Danger
Flammable (GHS02)Corrosive (GHS05)Irritant (GHS07)

Harmonised EU classification (CLP Annex VI, index 612-100-00-7), via PubChem.

Precautionary statements

P210, P233, P240, P241, P242, P243, P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P370+P378, P403+P235, P405, P501

Identifiers

CAS number
78-90-0
SMILES
CC(N)CN
InChIKey
AOHJOMMDDJHIJH-UHFFFAOYSA-N
InChI
InChI=1S/C3H10N2/c1-3(5)2-4/h3H,2,4-5H2,1H3

Weigh it out

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

Names and synonyms

11 names
  • 1,2-Propanediamine
  • Propylenediamine
  • 1,2-Propylenediamine
  • 2,3-Diaminopropane
  • 1-Methyl-1,2-diaminoethane
  • Dl-1,2-Propylenediamine
  • DL-1,2-Propanediamine
  • (±)-1,2-Diaminopropane
  • (RS)-1,2-Propanediamine
  • NSC 175731
  • N,N′-Dimethyl-1,2-diaminopropane

Work with 1,2-Diaminopropane

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.

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

Similar compounds

(-)-sec-Butylamine13250-12-947 % similar sec-Butylamine13952-84-647 % similar (±)-sec-Butylamine33966-50-647 % similar (S)-sec-Butylamine513-49-547 % similar 1,3-Dimethylbutylamine108-09-845 % similar L-Alaninol2749-11-345 % similar (R)-(-)-2-Amino-1-propanol35320-23-145 % similar Alaninol6168-72-545 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1,3-Diaminopropane109-76-2 N-Methylethylenediamine109-81-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia