Xylidine
Properties
- Molecular formula
- C48H66N6
- Molar mass
- 727.10 g/mol
- Exact mass
- 726.5349 Da
- Density
- 0.97–0.99 g/mL
- Melting point
- −36 °C
- Boiling point
- 213–226 °C
- Flash point
- -98 °C (closed cup)
- Water solubility
- sparingly soluble
- logP
- 11.31Crippen estimate
- Polar surface area
- 156.1 Ų
- H-bond donors / acceptors
- 6 / 6
- Rotatable bonds
- 0
Hazards
Danger
- H301+H311+H331 Toxic if swallowed, in contact with skin or if inhaled21.3% of notifiers
- H301+H311 Toxic if swallowed or in contact with skin56.8% of notifiers
- H301 Toxic if swallowed98.9% of notifiers
- H311 Toxic in contact with skin98.4% of notifiers
- H315 Causes skin irritation56.8% of notifiers
- H319 Causes serious eye irritation57.4% of notifiers
- H330 Fatal if inhaled57.9% of notifiers
- H331 Toxic if inhaled41.5% of notifiers
- H351 Suspected of causing cancer57.9% of notifiers
- H373 May causes damage to organs through prolonged or repeated exposure99.5% of notifiers
- H411 Toxic to aquatic life with long lasting effects99.5% of notifiers
Aggregated from 183 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P203, P260, P261, P262, P264, P264+P265, P270, P271, P273, P280, P284, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P318, P319, P320, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P391, P403+P233, P405, P501
Identifiers
CAS number
1300-73-8SMILES
CC1=CC(=C(C=C1)N)C.CC1=CC(=C(C=C1)C)N.CC1=C(C(=CC=C1)N)C.CC1=C(C(=CC=C1)C)N.CC1=C(C=C(C=C1)N)C.CC1=CC(=CC(=C1)N)CInChIKey
CDULGHZNHURECF-UHFFFAOYSA-NInChI
InChI=1S/6C8H11N/c1-6-3-7(2)5-8(9)4-6;1-6-3-4-8(9)5-7(6)2;1-6-3-4-8(9)7(2)5-6;1-6-3-4-7(2)8(9)5-6;1-6-4-3-5-8(9)7(6)2;1-6-4-3-5-7(2)8(6)9/h6*3-5H,9H2,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
4 names
- Benzenamine, ar,ar-dimethyl-
- Ar,ar-Dimethylbenzenamine
- Aminodimethylbenzene
- Ar,ar-Dimethylaniline
Work with 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
2,4-Xylidine95-68-143 % similar
2,5-Diaminotoluene95-70-543 % similar
2,5-Xylidine95-78-343 % similar
2,3-Xylidine87-59-241 % similar
2,4-Dimethylaniline hydrochloride21436-96-441 % similar
2-Methylbenzene-1,4-diamine dihydrochloride615-45-241 % similar
2,4-Diaminotoluene95-80-740 % similar
3,4-Xylidine95-64-739 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds