1-Amino-2-butanol
Properties
- Molecular formula
- C4H11NO
- Molar mass
- 89.14 g/mol
- Exact mass
- 89.0841 Da
- Melting point
- 3 °C
- Boiling point
- 169 °C
- Water solubility
- soluble
- logP
- -0.28Crippen estimate
- Polar surface area
- 46.3 Ų
- H-bond donors / acceptors
- 2 / 2
- Rotatable bonds
- 2
Hazards
Danger
- H314 Causes severe skin burns and eye damage95.3% of notifiers
Aggregated from 43 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, P501
Identifiers
CAS number
13552-21-1SMILES
CCC(O)CNInChIKey
KODLUXHSIZOKTG-UHFFFAOYSA-NInChI
InChI=1S/C4H11NO/c1-2-4(6)3-5/h4,6H,2-3,5H2,1H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
7 names
- 2-Butanol, 1-amino-
- 1-Ethyl-2-aminoethanol
- 1-Amino-2-hydroxybutane
- 2-Hydroxybutylamine
- (±)-1-Amino-2-butanol
- NSC 17695
- Mono-sec-butanolamine
Work with 1-Amino-2-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
3-Pentanol584-02-161 % similar
1,3-Diamino-2-propanol616-29-561 % similar
(3R,6R)-3,6-Octanediol129619-37-055 % similar
1,2-Butanediol26171-83-550 % similar
(2R)-1,2-Butanediol40348-66-150 % similar
1,2-Butanediol584-03-250 % similar
(S)-3-Amino-1,2-propanediol61278-21-550 % similar
3-Amino-1,2-propanediol616-30-850 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.