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Chemical structure of Histamine
Alkaloids

Histamine

组胺

PHY-NP-08323 · Natural product research catalog

Catalog numberPHY-NP-08323
CAS number51-45-6
Molecular formulaC5H9N3
Molecular weight111.148 g/mol
Chemical classAlkaloids
Purity / assayConfirmed in quotation and batch COA

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Product information

Histamine is listed in the Alkaloids section of the Phytide Bio research catalog. Standard pack sizes are 5, 10, 20, 50 and 100 mg.

For research use only. Not for human or veterinary use, diagnosis or treatment.

Names & identifiers

IUPAC name2-(1H-imidazol-5-yl)ethanamine
SMILESC1=C(NC=N1)CCN
InChIKeyNTYJJOPFIAHURM-UHFFFAOYSA-N
Subclass / scaffoldHistidine alkaloids:Imidazole alkaloids
PubChem CID774

Computed properties & structure classification

Exact mass (Da)111.0796Predicted LogP-0.0891
Predicted TPSA (Ų)54.7H-bond donors2
H-bond acceptors2Rotatable bonds2
Ring count1Aromatic rings1
Fraction Csp³0.4Synthetic accessibility score2.55
QED score0.56Lipinski rule violations0
NPClassifier pathwayAlkaloidsNPClassifier superclassHistidine alkaloids
NPClassifier classImidazole alkaloidsParent SMILESNCCc1cnc[nH]1
Parent formulaC5H9N3Parent molecular weight111.148
Specified stereocenters0Unspecified stereocenters0

Structure-derived values from the supplied dataset; not measured batch specifications or experimentally verified activity.

Reported natural occurrence

Main reported sourceHomo sapiens
LOTUS / Wikidata speciesHomo sapiens(智人)[4];Caenorhabditis elegans(秀丽隐杆线虫)[2];Araneus ventricosus(大腹园蛛)[1];Arripis trutta(鳟澳鲈)[1];California sea hare(加州海兔)[1];Cannabis sativa(大麻)[1];Chelidonium majus(白屈菜)[1];Chrysaora quinquecirrha(大西洋海刺水母)[1];Cnidoscolus texanus[1];Dioscorea communis(黑薯蓣)[1];Echinocereus triglochidiatus[1];Geodia barretti[1];Hippospongia communis[1];Nephila clavata(棒络新妇)[1];Orthosia guilleminiana[1];…
Source familiesAraneidae[3];Dioscoreaceae[2];Phytolaccaceae[2];Urticaceae[2];Hominidae[1];Rhabditidae[1]
LOTUS species records28
LOTUS reference records26
COCONUT occurrence recordsAconitum paniculatum;Anguilla japonica;Apis cerana;Araneus ventricosus;Arripis trutta;Astragalus oxyphysus;Caenorhabditis elegans;California sea hare;Cannabis sativa;Capsella bursa-pastoris;Casimiroa edulis;Centaurea glastifolia;Centipede scolopendra;Chelidonium majus;Chrysaora quinquecirrha;Cigarrilla mexicana;Citrullus lanatus;Clavaria pyxidata;Claviceps purpurea;Cnidoscolus texanus;Cossypium herbaceum;Cucumaria okhotensis;Currania robertiana;Cuscuta reflexa;Cyprinus carpio;Datura candida;Dichrostachys cinerea;Dioscorea communis;Drosera sp.;Drosera spp.;…
COCONUT organism records92
COCONUT identifierCNP0591741.0
Source reference DOI(s)10.21236/ADA010137

Occurrence records are inherited from the supplied dataset. They do not establish manufacturing origin, batch traceability or independent literature verification. Taxonomic names may include synonyms.

Structure resources

Documents & specifications

Certificate of analysis (COA)Batch-specific document pending; not available in this preview
Safety data sheet (SDS)Not yet published
Storage / solubilityProduct-specific conditions to be confirmed
ShippingConfirmed with the quotation

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