N-Isopropylaniline

C9H13NCAS 768-52-5135.21 g/mol

Open in Covalent MOL file
HN
Secondary amine

Properties

Molecular formula
C9H13N
Molar mass
135.21 g/mol
Exact mass
135.1048 Da
Density
0.95 g/mL
Melting point
−10 °C
Boiling point
203 °C
pKa
5.3 (conjugate acid, 25 °C)
Flash point
82 °C (closed cup)
Water solubility
< 100 mg/L (21.1 °C)
logP
2.51Crippen estimate
Polar surface area
12.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
2

Hazards

Danger
Acute Toxic (GHS06)Irritant (GHS07)

Aggregated from 82 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P264+P265, P270, P271, P280, P284, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P319, P320, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
768-52-5
SMILES
CC(C)Nc1ccccc1
InChIKey
FRCFWPVMFJMNDP-UHFFFAOYSA-N
InChI
InChI=1S/C9H13N/c1-8(2)10-9-6-4-3-5-7-9/h3-8,10H,1-2H3

Weigh it out

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

Names and synonyms

8 names
  • Benzenamine, N-(1-methylethyl)-
  • Aniline, N-isopropyl-
  • N-(1-Methylethyl)benzenamine
  • N-Phenylisopropylamine
  • N-Isopropylbenzenamine
  • Isopropylphenylamine
  • N-Phenyl-N-(1-methylethyl)amine
  • N-(1-Methylethyl)phenylamine

Work with N-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

N-Isopropyl-N'-phenyl-p-phenylenediamine101-72-482 % similar 4-Fluoro-N-(1-methylethyl)benzenamine70441-63-356 % similar Hydrazobenzene122-66-750 % similar Isopropylbenzylamine102-97-644 % similar N-Cyclohexylbenzenamine1821-36-944 % similar 6PPD793-24-844 % similar N-Methylaniline100-61-843 % similar Diphenylamine122-39-443 % 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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