1,1′-[(4-Methylphenyl)imino]bis[2-propanol]

C₁₃H₂₁NO₂CAS 38668-48-3223.32 g/mol

Open in Covalent MOL file

Alcohol Tertiary amine

Properties

Molecular formula: C₁₃H₂₁NO₂
Molar mass: 223.32 g/mol
Exact mass: 223.1572 Da
logP: 1.56Crippen estimate
Polar surface area: 43.7 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 5

Hazards

Danger

H300 Fatal if swallowed47.3% of notifiers
H301 Toxic if swallowed52.7% of notifiers
H319 Causes serious eye irritation47.6% of notifiers
H412 Harmful to aquatic life with long lasting effects50.1% of notifiers

Aggregated from 357 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P273, P280, P301+P316, P305+P351+P338, P321, P330, P337+P317, P405, P501

Identifiers

CAS number

38668-48-3

SMILES

Cc1ccc(N(CC(C)O)CC(C)O)cc1

InChIKey

JFZVSHAMRZPOPA-UHFFFAOYSA-N

InChI

InChI=1S/C13H21NO2/c1-10-4-6-13(7-5-10)14(8-11(2)15)9-12(3)16/h4-7,11-12,15-16H,8-9H2,1-3H3

Weigh it out

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

Names and synonyms

8 names

2-Propanol, 1,1′-[(4-methylphenyl)imino]bis-
2-Propanol, 1,1′-(p-tolylimino)di-
Diisopropanol-p-toluidine
N,N-Bis(2-hydroxypropyl)-p-toluidine
N,N-Diisopropanol-p-toluidine
N,N-Di(2-hydroxypropyl)-p-toluidine
N,N-Bis(2-hydroxypropyl)-4-methylaniline
1-[(2-Hydroxypropyl)(4-methylphenyl)amino]propan-2-ol

Work with 1,1′-[(4-Methylphenyl)imino]bis[2-propanol]

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

N,N-Bis(2-hydroxyethyl)-p-toluidine3077-12-148 % similar N,N-Diethyl-p-toluidine613-48-948 % similar 1-(p-Tolyl)piperazine39593-08-344 % similar N1,N1'-(1,4-Phenylene)bis(N1-(4-(diisobutylamino)phenyl)-N4,N4-diisobutylbenzene-1,4-diamine)485831-34-342 % similar Tri-p-tolylamine1159-53-141 % similar Triisopropanolamine122-20-341 % similar p-Toluidine ethoxylated103671-44-941 % similar p,Alpha-DIMETHYLBENZYL ALCOHOL536-50-539 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(Benzylamino)acetaldehyde diethyl acetal61190-10-1

Elsewhere

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