N,N-Diethyl-m-toluidine

C₁₁H₁₇NCAS 91-67-8163.26 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₁H₁₇N
Molar mass: 163.26 g/mol
Exact mass: 163.1361 Da
Melting point: 89 °C
Boiling point: 99 °C (at 13.5 Torr)
logP: 2.84Crippen estimate
Polar surface area: 3.2 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 3

Hazards

Danger

H301 Toxic if swallowed33.1% of notifiers
H302+H312+H332 Harmful if swallowed, in contact with skin or if inhaled30.6% of notifiers
H302 Harmful if swallowed66.9% of notifiers
H311 Toxic in contact with skin33.1% of notifiers
H312 Harmful in contact with skin66.9% of notifiers
H331 Toxic if inhaled33.1% of notifiers
H332 Harmful if inhaled66.9% of notifiers
H411 Toxic to aquatic life with long lasting effects33.1% of notifiers
H412 Harmful to aquatic life with long lasting effects66.1% of notifiers

Aggregated from 121 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P262, P264, P270, P271, P273, P280, P301+P316, P301+P317, P302+P352, P304+P340, P316, P317, P321, P330, P361+P364, P362+P364, P391, P403+P233, P405, P501

Identifiers

CAS number

91-67-8

SMILES

CCN(CC)c1cccc(C)c1

InChIKey

CIPVVROJHKLHJI-UHFFFAOYSA-N

InChI

InChI=1S/C11H17N/c1-4-12(5-2)11-8-6-7-10(3)9-11/h6-9H,4-5H2,1-3H3

Weigh it out

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

Names and synonyms

13 names · show all

Benzenamine, N,N-diethyl-3-methyl-
m-Toluidine, N,N-diethyl-
N,N-Diethyl-3-methylbenzenamine
3-(Diethylamino)-1-methylbenzene
3-(Diethylamino)toluene
m-Methyl(diethylamino)benzene
N,N-Diethyl-3-methylaniline
m-Methyl-N,N-diethylaniline
3-(N,N-Diethylamino)toluene
1-(Diethylamino)-3-methylbenzene
3-Methyl-N,N-diethylaniline
N,N-Diethyl-m-methylaniline
NSC 96629

Work with N,N-Diethyl-m-toluidine

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-Ethyl-N-(3-methylphenyl)benzenemethanamine119-94-874 % similar N-(2-Chloroethyl)-N-ethyl-3-methylbenzenamine22564-43-874 % similar 3-Methyl-N-ethyl-N-(β-hydroxyethyl)aniline91-88-372 % similar 3-(Ethyl(3-methylphenyl)amino)propanenitrile148-69-668 % similar Diethylaniline91-66-762 % similar 1-(3-Methylphenyl)piperazine41186-03-259 % similar 2,2'-((3-Methylphenyl)imino)bisethanol91-99-659 % similar 3-(Diethylamino)phenol91-68-958 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Hexylpyridine1129-69-7 N,N,2,4,6-Pentamethylbenzenamine13021-15-3 N-Butylbenzylamine2403-22-7 2,6-Diethyl-4-methylbenzenamine24544-08-9 4-Pentylaniline33228-44-3 N-(1,1-Dimethylethyl)benzenemethanamine3378-72-1 4-(1,1-Dimethylethyl)benzenemethanamine39895-55-1 4-N-Butylbenzylamine57802-79-6

Elsewhere

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