3,4-Xylidine

C₈H₁₁NCAS 95-64-7121.18 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₈H₁₁N
Molar mass: 121.18 g/mol
Exact mass: 121.0891 Da
Density: 1.076 g/mL (at 18 °C)
Melting point: 51 °C
Boiling point: 228 °C
pKa: 5.28
Flash point: 98 °C
Water solubility: 3.8 g/L (22 °C)
logP: 1.89Crippen estimate
Polar surface area: 26.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Danger

H301 Toxic if swallowed96.3% of notifiers
H311 Toxic in contact with skin98.1% of notifiers
H331 Toxic if inhaled98.1% of notifiers
H373 May causes damage to organs through prolonged or repeated exposure96.3% of notifiers
H411 Toxic to aquatic life with long lasting effects98.1% of notifiers

Aggregated from 54 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

95-64-7

SMILES

Cc1ccc(N)cc1C

InChIKey

DOLQYFPDPKPQSS-UHFFFAOYSA-N

InChI

InChI=1S/C8H11N/c1-6-3-4-8(9)5-7(6)2/h3-5H,9H2,1-2H3

Weigh it out

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

Names and synonyms

11 names

Benzenamine, 3,4-dimethyl-
3,4-Dimethylbenzenamine
3,4-Dimethylaniline
4-Amino-1,2-dimethylbenzene
3,4-Dimethylaminobenzene
1-Amino-3,4-dimethylbenzene
4-Amino-o-xylene
3,4-Xylylamine
3,4-Dimethylphenylamine
NSC 41800
NSC 7099

Reactions

3,4-Dimethylaniline (Xylidine, 3,4-)product

Work with 3,4-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

2,2′-Dimethyl-4,4′-diaminobiphenyl84-67-368 % similar 2,5-Diaminotoluene95-70-565 % similar 3-Iodo-4-methylbenzenamine35944-64-063 % similar 5-Amino-2-methylphenol2835-95-260 % similar 4-Amino-2-methylphenol2835-96-360 % similar 4-Fluoro-3-methylaniline452-69-760 % similar 3-Fluoro-4-methylaniline452-77-760 % similar 4-Bromo-3-methylaniline6933-10-460 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

3-Methylbenzylamine100-81-2 N-Methylbenzylamine103-67-3 N-Ethylaniline103-69-5 4-Methylbenzylamine104-84-7 5-Ethyl-2-methylpyridine104-90-5 3,5-Xylidine108-69-0 2,4,6-Trimethylpyridine108-75-8 4-Propylpyridine1122-81-2

Elsewhere

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