4-Isopropylaniline

C9H13NCAS 99-88-7135.21 g/mol

Open in Covalent MOL file
NH2
Primary amine

Properties

Molecular formula
C9H13N
Molar mass
135.21 g/mol
Exact mass
135.1048 Da
Melting point
163–164 °C
Boiling point
225 °C
logP
2.39Crippen estimate
Polar surface area
26.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 48 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
99-88-7
SMILES
CC(C)c1ccc(N)cc1
InChIKey
LRTFPLFDLJYEKT-UHFFFAOYSA-N
InChI
InChI=1S/C9H13N/c1-7(2)8-3-5-9(10)6-4-8/h3-7H,10H2,1-2H3

Weigh it out

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

Names and synonyms

17 names · show all
  • Benzenamine, 4-(1-methylethyl)-
  • Cumidine
  • 4-(1-Methylethyl)benzenamine
  • 4-Aminocumene
  • 4-Amino-1-isopropylbenzene
  • β-(4-Aminophenyl)propane
  • p-Cumidine
  • p-Isopropylaniline
  • 4-Aminoisopropylbenzene
  • 1-Amino-4-isopropylbenzene
  • 4-Isopropylphenylamine
  • 4-(2-Propyl)aniline
  • 4-Isopropylbenzenamine
  • NSC 7198
  • [4-(1-Methylethyl)phenyl]amine
  • 4-(Propan-2-yl)aniline
  • p-Aminocumene

Work with 4-Isopropylaniline

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

1,4-Diisopropylbenzene100-18-567 % similar 4,4'-Diisopropylbiphenyl18970-30-457 % similar 4,4′,4′′-Methylidynetris[benzenamine]548-61-857 % similar 4-Amino-alpha-methylbenzenemethanol14572-89-556 % similar 3-(1-Methylethyl)benzenamine5369-16-454 % similar P-Cymene99-87-652 % similar 1-(4-Isopropylphenyl)hydrazine63693-65-252 % similar 4-(1-Methylpropyl)benzenamine30273-11-152 % 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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