3,5-Xylidine
Properties
- Molecular formula
- C8H11N
- Molar mass
- 121.18 g/mol
- Exact mass
- 121.0891 Da
- Density
- 0.9706 g/mL (at 20 °C)
- Melting point
- 9.8 °C
- Boiling point
- 220.5 °C
- pKa
- 4.79 (conjugate acid, 19 °C)
- Flash point
- 97 °C (closed cup)
- Water solubility
- 4.8 g/L (20 °C)
- logP
- 1.89Crippen estimate
- Polar surface area
- 26.0 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 0
Hazards
Danger
- H301+H311+H331 Toxic if swallowed, in contact with skin or if inhaled68.5% of notifiers
- H301 Toxic if swallowed100% of notifiers
- H311 Toxic in contact with skin100% of notifiers
- H331 Toxic if inhaled100% of notifiers
- H373 May causes damage to organs through prolonged or repeated exposure99.4% of notifiers
- H411 Toxic to aquatic life with long lasting effects98.8% of notifiers
Aggregated from 162 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P260, P261, P262, P264, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P316, P319, P321, P330, P361+P364, P391, P403+P233, P405, P501
Identifiers
CAS number
108-69-0SMILES
Cc1cc(C)cc(N)c1InChIKey
MKARNSWMMBGSHX-UHFFFAOYSA-NInChI
InChI=1S/C8H11N/c1-6-3-7(2)5-8(9)4-6/h3-5H,9H2,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
10 names
- Benzenamine, 3,5-dimethyl-
- 3,5-Dimethylbenzenamine
- 3,5-Dimethylaniline
- 5-Amino-1,3-dimethylbenzene
- 5-Amino-1,3-xylene
- 3,5-Xylylamine
- 3,5-Dimethylphenylamine
- 3,5-Dimethyl-1-aminobenzene
- NSC 26880
- 3,5-Dimethyl-N-phenylamine
Work with 3,5-Xylidine
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
3-Chloro-5-methylbenzenamine29027-20-164 % similar
3-Fluoro-5-methylaniline52215-41-564 % similar
3-Bromo-5-methylbenzenamine74586-53-164 % similar
Mesitylene108-67-860 % similar
3-Methyl-5-trifluoromethylaniline96100-12-856 % similar
M-Toluidine108-44-155 % similar
5-Methyl-3-pyridinamine3430-19-152 % similar
4-Methylaniline106-49-050 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.