chempirical

(+)-Ethambutol

C10H24N2O2CAS 74-55-5204.31 g/mol

Open in Covalent MOL file
HONHNHOH
AlcoholSecondary amine

Properties

Molecular formula
C10H24N2O2
Molar mass
204.31 g/mol
Exact mass
204.1838 Da
Melting point
87.5–88.8 °C
Water solubility
sparingly soluble
logP
-0.29Crippen estimate
Polar surface area
64.5 Ų
H-bond donors / acceptors
4 / 4
Rotatable bonds
9
Stereocentres
S, Sin SMILES atom order

Hazards

Warning
Irritant (GHS07)Health Hazard (GHS08)

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

Precautionary statements

P260, P264, P270, P301+P317, P319, P330, P501

Identifiers

CAS number
74-55-5
SMILES
CC[C@@H](CO)NCCN[C@@H](CC)CO
InChIKey
AEUTYOVWOVBAKS-UWVGGRQHSA-N
InChI
InChI=1S/C10H24N2O2/c1-3-9(7-13)11-5-6-12-10(4-2)8-14/h9-14H,3-8H2,1-2H3/t9-,10-/m0/s1

Weigh it out

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

Names and synonyms

17 names · show all
  • 1-Butanol, 2,2′-(1,2-ethanediyldiimino)bis-, (2S,2′S)-
  • 1-Butanol, 2,2′-(ethylenediimino)di-, (+)-
  • 1-Butanol, 2,2′-(1,2-ethanediyldiimino)bis-, [S-(R*,R*)]-
  • (2S,2′S)-2,2′-(1,2-Ethanediyldiimino)bis[1-butanol]
  • Ethambutol
  • d-2,2′-(Ethylenediimino)di-1-butanol
  • d-Ethambutol
  • d-2,2′-(Ethylenediimino)bis(1-butanol)
  • Diambutol
  • (+)-N,N′-Bis[1-(hydroxymethyl)propyl]ethylenediamine
  • d-N,N′-Bis(1-hydroxymethylpropyl)ethylenediamine
  • EMB
  • (+)-S,S-Ethambutol
  • Etambutol
  • (2S,7S)-2,7-Diethyl-3,6-diazaoctane-1,8-diol
  • Purderal
  • (S,S)-Ethambutol

Work with (+)-Ethambutol

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Ethambutol hydrochloride1070-11-7Salt

Similar compounds

2-Ethylpiperazine13961-37-052 % similar L-Prolinol23356-96-948 % similar Prolinol498-63-548 % similar Prolinol68832-13-348 % similar 2-Ethylpiperidine1484-80-646 % similar Piperidin-2-ylmethanol3433-37-246 % similar 2-Ethyl-1-butanol97-95-043 % similar Morpholin-3-ylmethanol hydrochloride955400-09-643 % similar

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

Same formula

4,9-Dioxa-1,12-dodecanediamine7300-34-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook