1.0 2016-09-30 22:45:08 UTC 2020-05-05 18:37:44 UTC BMDB0001387 BMDB01387 N-Methylphenylethanolamine (+-)-alpha-((Methylamino)methyl)benzenemethanol (+-)-Halostachine alpha-[(Methylamino)methyl]-benzyl alcohol (+-)-a-((Methylamino)methyl)benzenemethanol (+-)-Α-((methylamino)methyl)benzenemethanol a-[(Methylamino)methyl]-benzyl alcohol Α-[(methylamino)methyl]-benzyl alcohol MPEOA N-Methylphenylethanolamine hydrochloride N-Methylphenylethanolamine hydrochloride, (+-)-isomer N-Methylphenylethanolamine, (+-)-isomer N-Methylphenylethanolamine, (R)-isomer 2-(methylamino)-1-Phenylethanol 2-methylamino-1-Phenylethanol alpha-((methylamino)Methyl)-DL-benzyl alcohol alpha-(Methylaminomethyl)benzyl alcohol DL-alpha-(Methylaminomethyl)benzyl alcohol Halostachine C9H13NO 151.2056 151.099714043 2-(methylamino)-1-phenylethan-1-ol halostachine 68579-60-2 CNCC(O)C1=CC=CC=C1 InChI=1S/C9H13NO/c1-10-7-9(11)8-5-3-2-4-6-8/h2-6,9-11H,7H2,1H3 ZCTYHONEGJTYQV-UHFFFAOYSA-N belongs to the class of organic compounds known as aralkylamines. These are alkylamines in which the alkyl group is substituted at one carbon atom by an aromatic hydrocarbyl group. Organic compounds Organic nitrogen compounds Organonitrogen compounds Amines Aralkylamines 1,2-aminoalcohols Aromatic alcohols Benzene and substituted derivatives Dialkylamines Hydrocarbon derivatives Organopnictogen compounds Secondary alcohols 1,2-aminoalcohol Alcohol Aralkylamine Aromatic alcohol Aromatic homomonocyclic compound Benzenoid Hydrocarbon derivative Monocyclic benzene moiety Organic oxygen compound Organooxygen compound Organopnictogen compound Secondary alcohol Secondary aliphatic amine Secondary amine Aromatic homomonocyclic compounds alkaloid phenylethanolamines Solid melting_point 74 - 76 °C logp 0.73 ALOGPS logs -0.90 ALOGPS logp 0.9 ChemAxon pka_strongest_acidic 14.12 ChemAxon pka_strongest_basic 9.43 ChemAxon iupac 2-(methylamino)-1-phenylethan-1-ol ChemAxon average_mass 151.2056 ChemAxon mono_mass 151.099714043 ChemAxon smiles CNCC(O)C1=CC=CC=C1 ChemAxon formula C9H13NO ChemAxon inchi InChI=1S/C9H13NO/c1-10-7-9(11)8-5-3-2-4-6-8/h2-6,9-11H,7H2,1H3 ChemAxon inchikey ZCTYHONEGJTYQV-UHFFFAOYSA-N ChemAxon polar_surface_area 32.26 ChemAxon refractivity 45.27 ChemAxon polarizability 17.26 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 2 ChemAxon donor_count 2 ChemAxon physiological_charge 1 ChemAxon formal_charge 0 ChemAxon number_of_rings 1 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::MsIr 1239 Specdb::MsIr 1240 Specdb::MsIr 1241 Specdb::MsMs 26009 Specdb::MsMs 26010 Specdb::MsMs 26011 Specdb::MsMs 32567 Specdb::MsMs 32568 Specdb::MsMs 32569 Specdb::MsMs 2425519 Specdb::MsMs 2425520 Specdb::MsMs 2425521 Specdb::MsMs 2510635 Specdb::MsMs 2510636 Specdb::MsMs 2510637 Specdb::CMs 22800 Specdb::CMs 32242 Specdb::CMs 32243 Specdb::CMs 38048 Specdb::CMs 99679 Specdb::CMs 99680 Specdb::CMs 175101 Specdb::NmrOneD 297375 Specdb::NmrOneD 297376 Specdb::NmrOneD 297377 Specdb::NmrOneD 297378 Specdb::NmrOneD 297379 Specdb::NmrOneD 297380 Specdb::NmrOneD 297381 Specdb::NmrOneD 297382 Specdb::NmrOneD 297383 Specdb::NmrOneD 297384 Specdb::NmrOneD 297385 Specdb::NmrOneD 297386 Specdb::NmrOneD 297387 Specdb::NmrOneD 297388 Specdb::NmrOneD 297389 Specdb::NmrOneD 297390 Specdb::NmrOneD 297391 Specdb::NmrOneD 297392 Specdb::NmrOneD 297393 Specdb::NmrOneD 297394 Blood Samples collected from 16 multiparous Holstein cows Sun HZ, Wang DM, Wang B, Wang JK, Liu HY, Guan le L, Liu JX: Metabolomics of four biofluids from dairy cows: potential biomarkers for milk production and quality. J Proteome Res. 2015 Feb 6;14(2):1287-98. doi: 10.1021/pr501305g. Epub 2015 Jan 28. 25599412 Liver 8 multiparous Chinese Holstein dairy cows fed in the Hangzhou Hangjiang Dairy Farm based on the milk production under corn stover based diets. Detection used gas chromatography time-of-flight/mass spectrometry (GC-TOF/MS) platform. Sun HZ, Zhou M, Wang O, Chen Y, Liu JX, Guan LL: Multi-omics reveals functional genomic and metabolic mechanisms of milk production and quality in dairy cows. Bioinformatics. 2020 Apr 15;36(8):2530-2537. doi: 10.1093/bioinformatics/btz951. 31873721 Liver 8 multiparous Chinese Holstein dairy cows fed in the Hangzhou Hangjiang Dairy Farm based on the milk production under alfalfa hay based diets. Detection used gas chromatography time-of-flight/mass spectrometry (GC-TOF/MS) platform. Sun HZ, Zhou M, Wang O, Chen Y, Liu JX, Guan LL: Multi-omics reveals functional genomic and metabolic mechanisms of milk production and quality in dairy cows. Bioinformatics. 2020 Apr 15;36(8):2530-2537. doi: 10.1093/bioinformatics/btz951. 31873721 FDB022596 C03711 889 913 16913 N-METHYLPHENYLETHANOLAMINE Halostachine 6207 Syrneva, Yu. I. The pharmacology of the new alkaloid halostachine. Farmakologiya i Toksikologiya (Moscow) (1941), 4(No. 1), 45-51. BMDBP00100 Phenylethanolamine N-methyltransferase P10938 PNMT Enzyme