Dimethyl-p-toluidine

C₉H₁₃NCAS 99-97-8135.21 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₉H₁₃N
Molar mass: 135.21 g/mol
Exact mass: 135.1048 Da
Density: 0.9 g/mL
Melting point: 113–115 °C
Boiling point: 215 °C
pKa: 5.63 (conjugate acid, 25 °C)
Flash point: 76 °C (closed cup)
Water solubility: 455 mg/L
logP: 2.06Crippen estimate
Polar surface area: 3.2 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Hazards

Danger

H301 Toxic if swallowedAcute toxicity, oral
H332 Harmful if inhaledAcute toxicity, inhalation
H350 May cause cancerCarcinogenicity
H373 May causes damage to organs through prolonged or repeated exposureSpecific target organ toxicity, repeated exposure
H412 Harmful to aquatic life with long lasting effectsHazardous to the aquatic environment, long-term hazard

Harmonised EU classification (CLP Annex VI, index 612-296-00-4), via PubChem.

Precautionary statements

P203, P260, P261, P264, P270, P271, P273, P280, P301+P316, P304+P340, P317, P318, P319, P321, P330, P405, P501

Identifiers

CAS number

99-97-8

SMILES

Cc1ccc(N(C)C)cc1

InChIKey

GYVGXEWAOAAJEU-UHFFFAOYSA-N

InChI

InChI=1S/C9H13N/c1-8-4-6-9(7-5-8)10(2)3/h4-7H,1-3H3

Weigh it out

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

Names and synonyms

20 names · show all

Benzenamine, N,N,4-trimethyl-
p-Toluidine, N,N-dimethyl-
N,N,4-Trimethylbenzenamine
N,N-Dimethyl-p-toluidine
p-Methyl-N,N-dimethylaniline
N,N-Dimethyl-p-tolylamine
N,N-Dimethyl-4-methylaniline
p,N,N-Trimethylaniline
N,N,4-Trimethylaniline
p-(Dimethylamino)toluene
N,N-Dimethyl-p-methylphenylamine
N,N-Dimethyl-1,4-toluidine
N,N-Dimethyl-p-toluidene
1-(Dimethylamino)-4-methylbenzene
NSC 1785
NL 65-100
4-Dimethylamino-1-methylbenzene
N,N-Dimethyl-p-methylaniline
4-(Dimethylamino)toluene
FirstCure DMPT

Work with Dimethyl-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

Wurster's blue100-22-171 % similar Tri-p-tolylamine1159-53-160 % similar N,N,N',N'-Tetramethylbenzidine366-29-060 % similar Tetramethyl-p-phenylenediamine dihydrochloride637-01-460 % similar N,N,3,5-Tetramethylaniline4913-13-755 % similar P-Xylene106-42-353 % similar Dimethylaniline121-69-752 % similar Tetramethyldiaminodiphenylmethane101-61-152 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

N-Ethyl-m-toluidine102-27-2 3,4-Dimethylbenzenemethanamine102-48-7 Dimethylbenzylamine103-83-3 Dimethyl-m-toluidine121-72-2 2,4,5-Trimethylaniline137-17-7 Ethylbenzylamine14321-27-8 (2S)-2-Phenylpropan-1-amine17596-79-1 2-Propylaniline1821-39-2

Elsewhere

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