2-(tert-Butylamino)ethanol
Properties
- Molecular formula
- C6H15NO
- Molar mass
- 117.19 g/mol
- Exact mass
- 117.1154 Da
- Melting point
- 44 °C
- Boiling point
- 176.5 °C
- logP
- 0.37Crippen estimate
- Polar surface area
- 32.3 Ų
- H-bond donors / acceptors
- 2 / 2
- Rotatable bonds
- 2
Hazards
Danger
- H312 Harmful in contact with skin90.5% of notifiers
- H314 Causes severe skin burns and eye damage100% of notifiers
Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P260, P264, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P362+P364, P363, P405, P501
Identifiers
CAS number
4620-70-6SMILES
CC(C)(C)NCCOInChIKey
IUXYVKZUDNLISR-UHFFFAOYSA-NInChI
InChI=1S/C6H15NO/c1-6(2,3)7-4-5-8/h7-8H,4-5H2,1-3H3Characterization data
Calculated from the structure, in the form journals print them.
¹H NMR
Predicted ¹H NMR (400 MHz, CDCl₃) δ 3.86 (t, J = 7.0 Hz, 2H), 2.98 (t, J = 7.0 Hz, 2H), 2.00 (br s, 1H), 1.20 (br s, 1H), 1.10 (s, 9H).¹³C NMR
Predicted ¹³C NMR (101 MHz, CDCl₃) δ 65.5, 55.7, 47.1, 31.3.[M + H]+
[M + H]+ Calcd for C6H16NO 118.1226[M + Na]+
[M + Na]+ Calcd for C6H15NNaO 140.1046[M − H]−
[M − H]− Calcd for C6H14NO 116.1081Elemental analysis
Anal. Calcd for C6H15NO: C, 61.49; H, 12.90; N, 11.95.Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
10 names
- Ethanol, 2-[(1,1-dimethylethyl)amino]-
- Ethanol, 2-(tert-butylamino)-
- 2-[(1,1-Dimethylethyl)amino]ethanol
- β-tert-Butylaminoethanol
- N-tert-Butylethanolamine
- 2-(t-Butylamino)ethanol
- NSC 78430
- tert-Butyl(2-hydroxyethyl)amine
- tert-Butylethanolamine
- 2-(tert-Butylamino)ethan-1-ol
Work with 2-(tert-Butylamino)ethanol
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
N,N′-Di-tert-butylethylenediamine4062-60-661 % similar
3-[(1,1-Dimethylethyl)amino]propanenitrile21539-53-742 % similar
N-Methylethanolamine109-83-141 % similar
N-tert-Butylethylamine4432-77-341 % similar
Diethanolamine111-42-240 % similar
(S)-3-(tert-Butylamino)propane-1,2-diol30315-46-939 % similar
2,2′-(1,2-Ethanediyldiimino)bis[ethanol]4439-20-738 % similar
2-(Ethylamino)ethanol110-73-638 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.