2,2'-((3-Methylphenyl)imino)bisethanol

C₁₁H₁₇NO₂CAS 91-99-6195.26 g/mol

Open in Covalent MOL file

Alcohol Tertiary amine

Properties

Molecular formula: C₁₁H₁₇NO₂
Molar mass: 195.26 g/mol
Exact mass: 195.1259 Da
Melting point: 65–67 °C
Boiling point: 160–165 °C (at 1 Torr)
logP: 0.79Crippen estimate
Polar surface area: 43.7 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 5

Hazards

Danger

H301 Toxic if swallowed31.3% of notifiers
H302 Harmful if swallowed56.2% of notifiers
H312 Harmful in contact with skin31.7% of notifiers
H315 Causes skin irritation56.9% of notifiers
H317 May cause an allergic skin reaction56.2% of notifiers
H318 Causes serious eye damage56.9% of notifiers
H319 Causes serious eye irritation32% of notifiers
H373 May causes damage to organs through prolonged or repeated exposure56.2% of notifiers

Aggregated from 281 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P264+P265, P270, P272, P280, P301+P316, P301+P317, P302+P352, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P405, P501

Identifiers

CAS number

91-99-6

SMILES

Cc1cccc(N(CCO)CCO)c1

InChIKey

VMNDRLYLEVCGAG-UHFFFAOYSA-N

InChI

InChI=1S/C11H17NO2/c1-10-3-2-4-11(9-10)12(5-7-13)6-8-14/h2-4,9,13-14H,5-8H2,1H3

Weigh it out

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

Names and synonyms

17 names · show all

M-Tolyldiethanolamine
Ethanol, 2,2′-[(3-methylphenyl)imino]bis-
Ethanol, 2,2′-(m-tolylimino)di-
2,2′-[(3-Methylphenyl)imino]bis[ethanol]
Diethanol-m-toluidine
N,N-Bis(2-hydroxyethyl)-m-toluidine
2,2′-(m-Tolylimino)diethanol
N,N-Bis(2-hydroxyethyl)-3-methylaniline
N,N-Bis(β-hydroxyethyl)-3-methylaniline
N,N-Di(β-hydroxyethyl)-m-toluidine
Emery 5709
N,N-Bis(2-hydroxyethyl)-3-toluidine
NSC 7488
N,N-Di(2-hydroxyethyl)-m-toluidine
2,2′-(m-Tolylazanediyl)diethanol
2-[(2-Hydroxyethyl)(3-methylphenyl)amino]ethan-1-ol
2-[N-(2-Hydroxyethyl)-3-methylanilino]ethanol

Work with 2,2'-((3-Methylphenyl)imino)bisethanol

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

3-Methyl-N-ethyl-N-(β-hydroxyethyl)aniline91-88-381 % similar 3-[(2-Hydroxyethyl)(3-methylphenyl)amino]propanenitrile119-95-977 % similar 1-(3-Methylphenyl)piperazine41186-03-264 % similar 2,2′-[(3-Chlorophenyl)imino]bis[ethanol]92-00-263 % similar N-Phenyldiethanolamine120-07-062 % similar N,N-Diethyl-m-toluidine91-67-859 % similar 1-(3-Methylphenyl)piperazine dihydrochloride13078-13-258 % similar N-(2-Chloroethyl)-N-ethyl-3-methylbenzenamine22564-43-854 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,2'-((Phenylmethyl)imino)bisethanol101-32-6 N,N-Bis(2-hydroxyethyl)-p-toluidine3077-12-1 N-Methylhomoveratrylamine3490-06-0

Elsewhere

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