Butylethanolamine

C₆H₁₅NOCAS 111-75-1117.19 g/mol

Open in Covalent MOL file

Alcohol Secondary amine

Properties

Molecular formula: C₆H₁₅NO
Molar mass: 117.19 g/mol
Exact mass: 117.1154 Da
Density: 0.89 g/mL
Melting point: −2 °C
Boiling point: 199 °C
logP: 0.37Crippen estimate
Polar surface area: 32.3 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 5

Hazards

Danger

H302 Harmful if swallowed85.3% of notifiers
H314 Causes severe skin burns and eye damage78.6% of notifiers
H315 Causes skin irritation21.4% of notifiers
H318 Causes serious eye damage90.3% of notifiers
H335 May cause respiratory irritation83.7% of notifiers
H336 May cause drowsiness or dizziness14.6% of notifiers

Aggregated from 859 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P362+P364, P363, P403+P233, P405, P501

Identifiers

CAS number

111-75-1

SMILES

CCCCNCCO

InChIKey

LJDSTRZHPWMDPG-UHFFFAOYSA-N

InChI

InChI=1S/C6H15NO/c1-2-3-4-7-5-6-8/h7-8H,2-6H2,1H3

Weigh it out

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

Names and synonyms

12 names

Ethanol, 2-(butylamino)-
2-(Butylamino)ethanol
2-(N-Monobutylamino)ethanol
N-Butylethanolamine
Butyl(2-hydroxyethyl)amine
2-(n-Butylamino)ethanol
N-Butyl-N-(2-hydroxyethyl)amine
2-Hydroxyethyl(butyl)amine
NSC 1098
MBM
Synergex
2-(Butylamino)ethan-1-ol

Work with Butylethanolamine

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

Dibutylamine111-92-268 % similar Diethanolamine111-42-258 % similar Dipentylamine2050-92-257 % similar 2,2′-(1,2-Ethanediyldiimino)bis[ethanol]4439-20-755 % similar Dioctylamine1120-48-555 % similar Didecylamine1120-49-655 % similar Dihexylamine143-16-855 % similar Ditetradecylamine17361-44-355 % similar

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

Same formula

Diethylethanolamine100-37-8 (2R)-2-Amino-3,3-dimethylbutan-1-ol112245-09-7 (2S)-2-Amino-3,3-dimethyl-1-butanol112245-13-3 (2S,3S)-2-Amino-3-methyl-1-pentanol24629-25-2 3-Isopropoxypropylamine2906-12-9 6-Amino-1-hexanol4048-33-3 2-(tert-Butylamino)ethanol4620-70-6 D-Leucinol53448-09-2

Elsewhere

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