N,N-Bis(1-methylethyl)benzenamine

C12H19NCAS 4107-98-6177.29 g/mol

Open in Covalent MOL file
N
Tertiary amine

Properties

Molecular formula
C12H19N
Molar mass
177.29 g/mol
Exact mass
177.1517 Da
Melting point
50–52 °C
Boiling point
205–210 °C (at 0.1 Torr)
logP
3.31Crippen estimate
Polar surface area
3.2 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
3

Hazards

Warning
Irritant (GHS07)

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number
4107-98-6
SMILES
CC(C)N(c1ccccc1)C(C)C
InChIKey
OVSARSKQWCLSJT-UHFFFAOYSA-N
InChI
InChI=1S/C12H19N/c1-10(2)13(11(3)4)12-8-6-5-7-9-12/h5-11H,1-4H3

Weigh it out

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

Names and synonyms

4 names
  • Benzenamine, N,N-bis(1-methylethyl)-
  • Aniline, N,N-diisopropyl-
  • N,N-Diisopropylaniline
  • N,N-Diisopropylbenzenamine

Work with N,N-Bis(1-methylethyl)benzenamine

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

Propachlor1918-16-744 % similar Dimethylaniline121-69-743 % similar N-Methyl-N-phenylbenzenamine552-82-943 % similar Triphenylamine603-34-943 % similar N,N-Bis(1-methylethyl)benzamide20383-28-240 % similar N-Methyl-N-phenyl-hydrazine618-40-638 % similar 1-Phenylethyl chloride672-65-138 % similar Diethylaniline91-66-738 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Diisopropylaniline24544-04-5 4-Hexylaniline33228-45-4 4-(tert-Butyl)-2,6-dimethylaniline42014-60-8 2-(4-tert-Butylphenyl)ethan-1-amine91552-82-8

Elsewhere

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