P-Anisidine
Properties
- Molecular formula
- C7H9NO
- Molar mass
- 123.15 g/mol
- Exact mass
- 123.0684 Da
- Density
- 1.071 g/mL (at 57 °C)
- Melting point
- 57.2 °C
- Boiling point
- 243 °C
- pKa
- 5.36 (25 °C)
- Flash point
- 122 °C (closed cup)
- Water solubility
- 22 g/L (20 °C)
- logP
- 1.28Crippen estimate
- Polar surface area
- 35.3 Ų
- H-bond donors / acceptors
- 1 / 2
- Rotatable bonds
- 1
Hazards
Danger
- H300 Fatal if swallowedAcute toxicity, oral
- H310 Fatal in contact with skinAcute toxicity, dermal
- H330 Fatal if inhaledAcute toxicity, inhalation
- H373 ** May causes damage to organs through prolonged or repeated exposureSpecific target organ toxicity, repeated exposure
- H400 Very toxic to aquatic lifeHazardous to the aquatic environment, acute hazard
Harmonised EU classification (CLP Annex VI, index 612-112-00-2), via PubChem.
Precautionary statements
P260, P262, P264, P270, P271, P273, P280, P284, P301+P316, P302+P352, P304+P340, P316, P319, P320, P321, P330, P361+P364, P391, P403+P233, P405, P501
Identifiers
CAS number
104-94-9SMILES
COc1ccc(N)cc1InChIKey
BHAAPTBBJKJZER-UHFFFAOYSA-NInChI
InChI=1S/C7H9NO/c1-9-7-4-2-6(8)3-5-7/h2-5H,8H2,1H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
18 names · show all
- Benzenamine, 4-methoxy-
- 4-Methoxybenzenamine
- p-Aminoanisole
- 4-Aminoanisole
- p-Methoxyphenylamine
- p-Anisylamine
- 4-Methoxyaniline
- p-Methoxyaniline
- 1-Amino-4-methoxybenzene
- p-Aminomethoxybenzene
- 4-Methoxyphenylamine
- 1,4-Anisidine
- 4-Aminomethoxybenzene
- 4-Methoxylaniline
- Methyl 4-aminophenyl ether
- Anisidine
- NSC 7921
- 4-Methoxy-1-aminobenzene
Work with P-Anisidine
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
Stereoisomers, salts and isotopologues
The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.
Similar compounds
1,4-Dimethoxybenzene150-78-767 % similar
Variamine blue3566-44-767 % similar
4-[4-(4-Methoxyphenyl)-1-piperazinyl]benzenamine74852-62-367 % similar
4,4′-Diaminodiphenyl ether101-80-457 % similar
4,4'-Dimethoxybiphenyl2132-80-157 % similar
4,4′-[1,4-Phenylenebis(oxy)]bis[benzenamine]3491-12-157 % similar
3,5-Dimethoxyaniline10272-07-857 % similar
M-Anisidine536-90-354 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.