5-Methoxy-o-toluidine
Properties
- Molecular formula
- C8H11NO
- Molar mass
- 137.18 g/mol
- Exact mass
- 137.0841 Da
- Melting point
- 47 °C
- Boiling point
- 253 °C
- logP
- 1.59Crippen estimate
- Polar surface area
- 35.3 Ų
- H-bond donors / acceptors
- 1 / 2
- Rotatable bonds
- 1
Hazards
Warning
- H302 Harmful if swallowed100% of notifiers
- H312 Harmful in contact with skin97.6% of notifiers
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H332 Harmful if inhaled97.6% of notifiers
- H335 May cause respiratory irritation97.6% of notifiers
Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
50868-72-9SMILES
COc1ccc(C)c(N)c1InChIKey
RPJXLEZOFUNGNZ-UHFFFAOYSA-NInChI
InChI=1S/C8H11NO/c1-6-3-4-7(10-2)5-8(6)9/h3-5H,9H2,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
7 names
- 5-Methoxy-2-methylaniline
- Benzenamine, 5-methoxy-2-methyl-
- 5-Methoxy-2-methylbenzenamine
- 2-Methyl-5-methoxyaniline
- 3-Amino-4-methylanisole
- 3-Methoxy-6-methylaniline
- NSC 229308
Work with 5-Methoxy-o-toluidine
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
4-Methoxy-1,2-phenylenediamine102-51-265 % similar
3,4-Dimethylanisole4685-47-665 % similar
2-Chloro-4-methoxy-1-methylbenzene54788-38-462 % similar
2,5-Dimethoxyaniline102-56-761 % similar
4-Methoxybenzene-1,2-diamine dihydrochloride59548-39-959 % similar
2-Iodo-4-methoxyphenylamine191348-14-857 % similar
2-Amino-4-methoxyphenol20734-76-357 % similar
2-Chloro-5-methoxybenzenamine2401-24-357 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds