Compound: O-ANISIDINE
SMILES: O(c1c(N)cccc1)C
InChIKey: VMPITZXILSNTON-UHFFFAOYSA-N
Synonyms: O-ANISIDINE, 2-Methoxyaniline, 90-04-0, 2-Anisidine, 2-Aminoanisole, o-Aminoanisole, o-Methoxyaniline, Benzenamine, 2-methoxy-, Ortho-anisidine, 2-Methoxybenzenamine, o-Anisylamine, 1-Amino-2-methoxybenzene, o-Methoxyphenylamine, ortho-Aminoanisole, 2-Methoxy-1-aminobenzene, 2-methoxyphenylamine, NSC 3122, 2-Aminomethoxybenzene, DTXSID5023877, AI3-08584, NUX042F201, NSC-3122, DTXCID803877, CHEBI:82288, RefChem:167140, 201-963-1, o-Aminomethoxybenzene, ortho-Methoxyaniline, 2-Methoxy-phenylamine, o-Aminophenol methyl ether, Aniline, 2-methoxy-, 2-METHOXY-ANILINE, MFCD00007688, ortho-Methoxyphenylamine, Anisidine, o-, CAS-90-04-0, CCRIS 768, ORTHO ANISIDINE, HSDB 2073, EINECS 201-963-1, BRN 0386210, o-anisidin, UNII-NUX042F201, 2-methoxylaniline, 2-methyloxyaniline, 2-methoxy aniline, 2-methyoxy-aniline, 2-methoxybenzeneamine, 2-(methyloxy)aniline, 2-methoxyphenyl amine, 2-amino-methoxybenzene, (2-methoxyphenyl)amine, 2-(methyloxy) aniline, (2-methoxyphenyl)-amine, o-Anisidine, >=99%, EC 201-963-1, O-ANISIDINE [HSDB], SCHEMBL14598, 4-13-00-00806 (Beilstein Handbook Reference), MLS001050112, UN 2431 (Salt/Mix), BIDD:GT0815, SCHEMBL293765, SCHEMBL721586, SCHEMBL722530, ORTHO-ANISIDINE [IARC], SCHEMBL4261664, SCHEMBL5653014, SCHEMBL7473062, CHEMBL1612004, o-Anisidine, analytical standard, SCHEMBL29390378, MSK1221, NSC3122, Tox21_201460, Tox21_300053, SBB028142, STL169147, AKOS000102650, NCGC00091248-01, NCGC00091248-02, NCGC00091248-03, NCGC00091248-04, NCGC00254164-01, NCGC00259011-01, AC-11739, AS-10980, BP-21350, SMR001216591, 2-Anisidine 100 microg/mL in Acetonitrile, DB-057180, o-Anisidine(Discontinued,See C4X-21484), A0486, NS00002777, ST45255319, EN300-19068, C19191, F043317, Q3295808, F2190-0439, InChI=1/C7H9NO/c1-9-7-5-3-2-4-6(7)8/h2-5H,8H2,1H, 99742-70-8
Theoretical properties:
molecular_formula: C7H9NO
molecular_weight: 123.15 g/mol
exact_mass: 123.068413911 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 2
rotatable_bond_count: 1
heavy_atom_count: 9
topological_polar_surface_area: 35.3 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: Yellowish liquid; becomes brownish on exposure to air
color: Yellowish liquid; becomes brownish on exposure to air
odor: Amine-like odor
boiling_point: 437 °F at 760 mmHg (NTP, 1992)
melting_point: 41 °F (NTP, 1992)
density: 1.0923 at 68 °F (NTP, 1992) - Denser than water; will sink
solubility: less than 0.1 mg/mL at 66 °F (NTP, 1992)
flash_point: 210 °F (NTP, 1992)
vapor_pressure: less than 0.1 mmHg at 68 °F ; 1 mmHg at 141.8 °F (NTP, 1992)
Descriptions:
pubchem: o-Anisidine can cause cancer according to an independent committee of scientific and health experts.
chebi: A substituted aniline that is aniline in which the hydrogen <em>ortho</em> to the amino group has been replaced by a methoxy group. It is used as a chemical intermediate in the synthesis of azo pigments and dyes.
chembl: Unnamed Compound is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: o-Anisidine (2-anisidine) is an organic compound with the formula CH3OC6H4NH2. A colorless liquid, commercial samples can appear yellow owing to air oxidation.  It is one of three isomers of the methoxy-containing aniline derivative.  It is a building block for other more complex compounds.