N,N,2,4,6-Pentamethylbenzenamine

C₁₁H₁₇NCAS 13021-15-3163.26 g/mol

Open in Covalent MOL file

Tertiary amine

Properties

Molecular formula: C₁₁H₁₇N
Molar mass: 163.26 g/mol
Exact mass: 163.1361 Da
Boiling point: 214 °C
logP: 2.68Crippen estimate
Polar surface area: 3.2 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin88.9% of notifiers
H315 Causes skin irritation97.8% of notifiers
H319 Causes serious eye irritation97.8% of notifiers
H332 Harmful if inhaled88.9% of notifiers
H335 May cause respiratory irritation95.6% of notifiers

Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

13021-15-3

SMILES

Cc1cc(C)c(N(C)C)c(C)c1

InChIKey

JZBZLRKFJWQZHU-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

7 names

Benzenamine, N,N,2,4,6-pentamethyl-
Aniline, N,N,2,4,6-pentamethyl-
N,N-Dimethylmesidine
N,N,2,4,6-Pentamethylaniline
2,4,6,N,N-Pentamethylaniline
2-(Dimethylamino)mesitylene
NSC 243164

Work with N,N,2,4,6-Pentamethylbenzenamine

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

N,N,3,5-Tetramethylaniline4913-13-750 % similar Isodurene527-53-748 % similar Iodomesitylene4028-63-146 % similar 2,4,6-Trimethylthiophenol1541-10-244 % similar 2-Chloromesitylene1667-04-544 % similar Trimesitylphosphine23897-15-644 % similar Mesityl fluoride392-69-844 % similar Mesitol527-60-644 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Hexylpyridine1129-69-7 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 N,N-Diethyl-o-toluidine606-46-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook