1.0 2010-04-08 22:10:11 UTC 2019-11-26 03:06:50 UTC FDB012455 Methyl N-methylanthranilate Constituent of mandarin peel oil (Citrus madurensis), petitgrain oil and other citrus subspecies oils. Flavouring agent. Methyl N-methylanthranilate is found in sweet orange and citrus. 2-methylamino-benzoic acid methyl ester 2-Methylaminobenzoic acid methyl ester Anthranilic acid, n-methyl-, methyl ester Benzoic acid, 2-(methylamino)-, methyl ester Dimethyl anthranilate FEMA 2718 Methyl 2-(methylamino)benzoate Methyl 2-methylaminobenzoate Methyl benzoate, 2-methylamino Methyl methanthranilate Methyl methylaminobenzoate Methyl methylanthranilate Methyl n-methyl anthranilate Methyl n-methyl-o-anthranilate Methyl N-methylanthranilate Methyl o-(methylamino)benzoate Methyl-2-(N-methylamino)benzoate Methyl-n-methylanthranilate N-methyl methyl anthranilate N-methylanthranilic acid, methyl ester C9H11NO2 165.1891 165.078978601 methyl 2-(methylamino)benzoate methyl 2-(methylamino)benzoate 85-91-6 CNC1=CC=CC=C1C(=O)OC InChI=1S/C9H11NO2/c1-10-8-6-4-3-5-7(8)9(11)12-2/h3-6,10H,1-2H3 GVOWHGSUZUUUDR-UHFFFAOYSA-N belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid. Benzoic acid esters Organic compounds Benzenoids Benzene and substituted derivatives Benzoic acids and derivatives Aromatic homomonocyclic compounds Amino acids and derivatives Aminobenzoic acids and derivatives Aniline and substituted anilines Benzoyl derivatives Hydrocarbon derivatives Methyl esters Monocarboxylic acids and derivatives Organic oxides Organooxygen compounds Organopnictogen compounds Phenylalkylamines Secondary alkylarylamines Vinylogous amides Amine Amino acid or derivatives Aminobenzoic acid or derivatives Aniline or substituted anilines Aromatic homomonocyclic compound Benzoate ester Benzoyl Carboxylic acid derivative Carboxylic acid ester Hydrocarbon derivative Methyl ester Monocarboxylic acid or derivatives Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Phenylalkylamine Secondary aliphatic/aromatic amine Secondary amine Vinylogous amide Liquid logp 1.75 ALOGPS logs -1.79 ALOGPS solubility 2.69e+00 g/l ALOGPS melting_point Mp 19° logp 2.1 ChemAxon pka_strongest_acidic 19.59 ChemAxon pka_strongest_basic 2.14 ChemAxon iupac methyl 2-(methylamino)benzoate ChemAxon average_mass 165.1891 ChemAxon mono_mass 165.078978601 ChemAxon smiles CNC1=CC=CC=C1C(=O)OC ChemAxon formula C9H11NO2 ChemAxon inchi InChI=1S/C9H11NO2/c1-10-8-6-4-3-5-7(8)9(11)12-2/h3-6,10H,1-2H3 ChemAxon inchikey GVOWHGSUZUUUDR-UHFFFAOYSA-N ChemAxon polar_surface_area 38.33 ChemAxon refractivity 48.28 ChemAxon polarizability 17.6 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 13495 Specdb::CMs 159455 Specdb::MsIr 6449 Specdb::MsIr 6450 Specdb::MsIr 6451 Specdb::NmrOneD 124638 Specdb::NmrOneD 124639 Specdb::NmrOneD 124640 Specdb::NmrOneD 124641 Specdb::NmrOneD 124642 Specdb::NmrOneD 124643 Specdb::NmrOneD 124644 Specdb::NmrOneD 124645 Specdb::NmrOneD 124646 Specdb::NmrOneD 124647 Specdb::NmrOneD 124648 Specdb::NmrOneD 124649 Specdb::NmrOneD 124650 Specdb::NmrOneD 124651 Specdb::NmrOneD 124652 Specdb::NmrOneD 124653 Specdb::NmrOneD 124654 Specdb::NmrOneD 124655 Specdb::NmrOneD 124656 Specdb::NmrOneD 124657 Specdb::MsMs 101133 Specdb::MsMs 101134 Specdb::MsMs 101135 Specdb::MsMs 166668 Specdb::MsMs 166669 Specdb::MsMs 166670 Specdb::MsMs 2356806 Specdb::MsMs 2356807 Specdb::MsMs 2356808 Specdb::MsMs 2609639 Specdb::MsMs 2609640 Specdb::MsMs 2609641 HMDB34169 #<Reference:0x000055ce31f1f720> Citrus Unknown generic Mandarin orange (Clementine, Tangerine) Type 1 specific Citrus reticulata 85571 Sweet orange Type 1 specific Citrus sinensis 2711 blossom fruity grape musty neroli orange phenolic powdery sweet wine