N,N-Diethyl-p-toluidine

C₁₁H₁₇NCAS 613-48-9163.26 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₁H₁₇N
Molar mass: 163.26 g/mol
Exact mass: 163.1361 Da
Boiling point: 229 °C
logP: 2.84Crippen estimate
Polar surface area: 3.2 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 3

Hazards

Danger

H301 Toxic if swallowed32.3% of notifiers
H302 Harmful if swallowed66.7% of notifiers
H311 Toxic in contact with skin32.3% of notifiers
H315 Causes skin irritation59.1% of notifiers
H319 Causes serious eye irritation67.3% of notifiers
H331 Toxic if inhaled32.3% of notifiers
H373 May causes damage to organs through prolonged or repeated exposure32% of notifiers
H412 Harmful to aquatic life with long lasting effects32% of notifiers

Aggregated from 303 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P262, P264, P264+P265, P270, P271, P273, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

613-48-9

SMILES

CCN(CC)c1ccc(C)cc1

InChIKey

HKJNHYJTVPWVGV-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

9 names

Benzenamine, N,N-diethyl-4-methyl-
p-Toluidine, N,N-diethyl-
N,N-Diethyl-4-methylbenzenamine
N,N-Diethyl-4-methylaniline
p-Methyl-N,N-diethylaniline
4-(Diethylamino)toluene
4-Methyl-N,N-diethylaniline
N,N-Diethyl-p-methylaniline
NSC 8709

Work with N,N-Diethyl-p-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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Diethylaniline91-66-758 % similar 4-Bromo-N,N-diethylbenzenamine2052-06-458 % similar Color developing agent 193-05-058 % similar N,N-Diethyl-m-toluidine91-67-857 % similar N,N-Bis(2-hydroxyethyl)-p-toluidine3077-12-154 % similar 1-(p-Tolyl)piperazine39593-08-354 % similar Tri-p-tolylamine1159-53-152 % similar 4-(Diethylamino)benzaldehyde120-21-852 % 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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