chempirical

Isopropylamine

C3H9NCAS 75-31-059.11 g/mol

Open in Covalent MOL file
NH2
Primary amine

Properties

Molecular formula
C3H9N
Molar mass
59.11 g/mol
Exact mass
59.0735 Da
Density
0.694 g/mL (at 15 °C)
Melting point
−101 °C
Boiling point
33–34 °C
pKa
10.63 (conjugated acid)
Water solubility
miscible (20 °C)
logP
0.35Crippen estimate
Polar surface area
26.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Hazards

Danger
Flammable (GHS02)Irritant (GHS07)

Harmonised EU classification (CLP Annex VI, index 612-007-00-1), via PubChem.

Precautionary statements

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number
75-31-0
SMILES
CC(C)N
InChIKey
JJWLVOIRVHMVIS-UHFFFAOYSA-N
InChI
InChI=1S/C3H9N/c1-3(2)4/h3H,4H2,1-2H3

Weigh it out

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

Names and synonyms

10 names
  • 2-Propanamine
  • 2-Aminopropane
  • Monoisopropylamine
  • 2-Propylamine
  • sec-Propylamine
  • 1-Methylethylamine
  • NSC 62775
  • Propan-2-ylamine
  • 2-Isopropylamine
  • Propan-2-amine

Work with Isopropylamine

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.

Roundup38641-94-0Salt Monoisopropylammonium chloride15572-56-2Salt

Similar compounds

(R)-(-)-2-Amino-3-methylbutane34701-33-231 % similar 1,2-Dimethylpropylamine598-74-331 % similar 1-Aminoethanol75-39-831 % similar

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

Same formula

Propylamine107-10-8 Ethylmethylamine624-78-2 Trimethylamine75-50-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia