2-Amino-2-ethyl-1,3-propanediol
Properties
- Molecular formula
- C5H13NO2
- Molar mass
- 119.16 g/mol
- Exact mass
- 119.0946 Da
- Melting point
- 37.5 °C
- Boiling point
- 152.5 °C
- logP
- -0.92Crippen estimate
- Polar surface area
- 66.5 Ų
- H-bond donors / acceptors
- 3 / 3
- Rotatable bonds
- 3
Hazards
Danger
- H318 Causes serious eye damage25.8% of notifiers
- H319 Causes serious eye irritation73.5% of notifiers
Aggregated from 660 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P264+P265, P280, P305+P351+P338, P305+P354+P338, P317, P337+P317
Identifiers
CAS number
115-70-8SMILES
CCC(N)(CO)COInChIKey
IOAOAKDONABGPZ-UHFFFAOYSA-NInChI
InChI=1S/C5H13NO2/c1-2-5(6,3-7)4-8/h7-8H,2-4,6H2,1H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
10 names
- 1,3-Propanediol, 2-amino-2-ethyl-
- AEPD
- 2-Amino-2-ethylpropanediol
- 2-Ethyl-2-aminopropanediol
- 2-Ethyl-2-amino-1,3-propanediol
- NSC 8803
- (1,1-Bis(hydroxymethyl)propyl)amine
- AEPD-VOX 1000
- VOX 1000
- 2-Amino-2-ethylpropan-1,3-diol
Work with 2-Amino-2-ethyl-1,3-propanediol
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
Similar compounds
Tris77-86-161 % similar
Tris(hydroxymethyl)aminomethane hydrochloride1185-53-152 % similar
[1-Aminocyclopentyl]methanol10316-79-750 % similar
2,2-Diethyl-1,3-propanediol115-76-448 % similar
Trimethylolpropane77-99-648 % similar
Tris-acetate6850-28-843 % similar
2-Amino-2-methyl-1,3-propanediol115-69-539 % similar
Aminomethyl propanol124-68-539 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds