4-Amino-1-butanol
Properties
- Molecular formula
- C4H11NO
- Molar mass
- 89.14 g/mol
- Exact mass
- 89.0841 Da
- Density
- 0.9688 g/mL (at 20 °C)
- Boiling point
- 202 °C
- logP
- -0.28Crippen estimate
- Polar surface area
- 46.3 Ų
- H-bond donors / acceptors
- 2 / 2
- Rotatable bonds
- 3
Hazards
Danger
- H302 Harmful if swallowed12.7% of notifiers
- H314 Causes severe skin burns and eye damage100% of notifiers
Aggregated from 63 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, P501
Identifiers
CAS number
13325-10-5SMILES
NCCCCOInChIKey
BLFRQYKZFKYQLO-UHFFFAOYSA-NInChI
InChI=1S/C4H11NO/c5-3-1-2-4-6/h6H,1-5H2Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
6 names
- 1-Butanol, 4-amino-
- 4-Aminobutanol
- 4-Hydroxybutylamine
- 4-Hydroxy-1-butanamine
- Butanolamine
- 1-Amino-4-butanol
Work with 4-Amino-1-butanol
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
5-Amino-1-pentanol2508-29-493 % similar
6-Amino-1-hexanol4048-33-393 % similar
3-Amino-1-propanol156-87-680 % similar
Putrescine110-60-157 % similar
1,4-Butanediol110-63-457 % similar
Polytetrahydrofuran25190-06-157 % similar
Ethanolamine141-43-556 % similar
1,5-Pentanediol111-29-553 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.