tert-Butyldiethanolamine

C₈H₁₉NO₂CAS 2160-93-2161.24 g/mol

Open in Covalent MOL file

Alcohol Tertiary amine

Properties

Molecular formula: C₈H₁₉NO₂
Molar mass: 161.24 g/mol
Exact mass: 161.1416 Da
Melting point: 189 °C
Boiling point: 136–139 °C (at 12 Torr)
logP: 0.07Crippen estimate
Polar surface area: 43.7 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 4

Hazards

Danger

H314 Causes severe skin burns and eye damage37.9% of notifiers
H318 Causes serious eye damage27.6% of notifiers

Aggregated from 380 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, P501

Identifiers

CAS number

2160-93-2

SMILES

CC(C)(C)N(CCO)CCO

InChIKey

XHJGXOOOMKCJPP-UHFFFAOYSA-N

InChI

InChI=1S/C8H19NO2/c1-8(2,3)9(4-6-10)5-7-11/h10-11H,4-7H2,1-3H3

Weigh it out

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

Names and synonyms

18 names · show all

Ethanol, 2,2′-[(1,1-dimethylethyl)imino]bis-
Ethanol, 2,2′-(tert-butylimino)di-
2,2′-[(1,1-Dimethylethyl)imino]bis[ethanol]
3-tert-Butyl-3-aza-1,5-pentanediol
2,2′-(tert-Butylimino)diethanol
N-tert-Butyldiethanolamine
N-tert-Butyliminodiethanol
N-tert-Butylbis(2-hydroxyethyl)amine
N-tert-Butyl-2,2′-iminodiethanol
tert-Butylbis(2-hydroxyethyl)amine
N-tert-Butyl-di(2-hydroxyethyl)amine
NSC 525736
Amino alcohol BDEA
N,N-Bis(2-hydroxyethyl)-tert-butylamine
t-BuDEA
2,2′-(tert-Butylazanediyl)diethanol
2-[tert-Butyl(2-hydroxyethyl)amino]ethanol
2-[tert-Butyl(2-hydroxyethyl)amino]ethan-1-ol

Work with tert-Butyldiethanolamine

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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1-tert-Butylpiperazine38216-72-748 % similar Bis-tris methane6976-37-048 % similar Methyl diethanolamine105-59-941 % similar 2-(Dimethylamino)ethanol108-01-041 % similar Triethanolamine102-71-640 % similar 1-tert-Butyl-3-hydroxyazetidine13156-04-240 % similar N-Boc-diethanolamine103898-11-939 % similar 1-Aziridineethanol1072-52-238 % similar

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

Same formula

Butyldiethanolamine102-79-4 Diethylaminoethoxyethanol140-82-9 4,4-Dimethoxy-N,N-dimethyl-1-butanamine19718-92-4 2,2-Diethoxy-N,N-dimethylethanamine3616-56-6 4,4-Diethoxy-1-butanamine6346-09-4

Elsewhere

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