1-Aminopropan-2-ol

C3H9NOCAS 78-96-675.11 g/mol

Open in Covalent MOL file
HONH2
AlcoholPrimary amine

Properties

Molecular formula
C3H9NO
Molar mass
75.11 g/mol
Exact mass
75.0684 Da
Density
0.9611 g/mL (at 20 °C)
Melting point
1.74 °C
Boiling point
159.46 °C
Flash point
77 °C (closed cup)
Water solubility
≥ 100 g/L (19.8 °C)
logP
-0.67Crippen estimate
Polar surface area
46.3 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
1

Hazards

Danger
Corrosive (GHS05)

Harmonised EU classification (CLP Annex VI, index 603-082-00-1), via PubChem.

Precautionary statements

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, P501

Identifiers

CAS number
78-96-6
SMILES
CC(O)CN
InChIKey
HXKKHQJGJAFBHI-UHFFFAOYSA-N
InChI
InChI=1S/C3H9NO/c1-3(5)2-4/h3,5H,2,4H2,1H3

Weigh it out

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

Names and synonyms

22 names · show all
  • 2-Propanol, 1-amino-
  • 1-Amino-2-propanol
  • α-Aminoisopropyl alcohol
  • Isopropanolamine
  • Threamine
  • Monoisopropanolamine
  • 2-Hydroxy-1-propylamine
  • 1-Amino-2-hydroxypropane
  • 2-Hydroxypropylamine
  • 1-Methyl-2-aminoethanol
  • 2-Amino-1-methylethanol
  • 2-Hydroxypropanamine
  • MIPA
  • 2-Hydroxy-1-propanamine
  • β-Aminoisopropanol
  • DL-1-Amino-2-propanol
  • (±)-1-Amino-2-propanol
  • (RS)-1-Amino-2-hydroxypropane
  • (RS)-1-amino-2-propanol
  • NSC 3188
  • (2-Hydroxy-2-methylethyl)amine
  • 1-Aminoisopropanol

Work with 1-Aminopropan-2-ol

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.

(+)-1-Amino-2-propanol2799-17-9Defined stereoisomer (R)-1-Amino-2-propanol2799-16-8Defined stereoisomer

Similar compounds

(2R,5R)-2,5-Hexanediol17299-07-950 % similar 2,5-Hexanediol2935-44-650 % similar (2S,5S)-(+)-Hexanediol34338-96-050 % similar (2R,4R)-(-)-Pentanediol42075-32-150 % similar 2,4-Pentanediol625-69-450 % similar (2S,4S)-(+)-Pentanediol72345-23-450 % similar (-)-2-Butanol14898-79-445 % similar (+-)-2-Butanol15892-23-645 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

N-Methylethanolamine109-83-1 2-Methoxyethylamine109-85-3 Trimethylamine N-oxide1184-78-7 3-Amino-1-propanol156-87-6 L-Alaninol2749-11-3 (R)-(-)-2-Amino-1-propanol35320-23-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia