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HCID 774Erstellt: 23. Oktober 2026

Histamine

https://huagongshe.com/de/chemical/774

Molekülstruktur von Histamine

Identifikatoren & physikalische Daten

CAS No.51-45-6
SummenformelC5H9N3
Durchschnittliche Molmasse111,15 g/mol
Monoisotopische Masse111,07964729 g/mol
SMILESNCCc1cnc[nH]1
InChIKeyNTYJJOPFIAHURM-UHFFFAOYSA-N
PubChem CID774
ChEMBLCHEMBL90
ChEBICHEBI:18295
EC No.200-100-6
DTXSIDDTXSID4023125

Chemische & physikalische Eigenschaften

XLogP-0,7
Polarare Oberfläche (TPSA)54,7
H-Brücken-Donoren2
H-Brücken-Akzeptoren2
Frei drehbare Bindungen2
Schwere Atome8
Formalladung0
Komplexität64,7
ArzneimittelPharmaceuticalPharmaceuticals -> Listed in ZINC15
LogP (Verteilungskoeffizient)-0.70
Color/FormNEEDLES FROM CHLOROFORM
LöslichkeitCOLORLESS LONG PRISMATIC CRYSTALSODORLESS1 G SOL IN ABOUT 4 ML WATERAQ SOLN IS ACID TO LITMUSWHEN DRIED AT 105 °C FOR 2 HR, IT MELTS AT ABOUT 140 °C /PHOSPHATE/FREELY SOL IN WATER, ALCOHOL, HOT CHLOROFORMSPARINGLY SOL IN ETHER14.1 [ug/mL] (The mean of the results at pH 7.4)
Siedepunkt209-210 °C @ 18 MM HG
Schmelzpunkt83-84 °C86 °C
Physical DescriptionSolid
Stability/Shelf LifeSTABLE IN AIR BUT IS AFFECTED BY LIGHT /PHOSPHATE/
Dissociation Constants9.756PKA1= 9.68PKA2= 5.88
Collision Cross Section120.4 Ų [M+H]+ [CCS Type: DTMethod: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]120 Ų [M+H]+ [CCS Type: DTMethod: single field calibrated with Agilent tune mix (Agilent)]
Other Experimental PropertiesDELIQUESCENTPRISMS FROM ETHANOLMP: 244-246 °CFREELY SOL IN WATER, METHANOL /DIHYDROCHLORIDE/

Sicherheit & Vorschriften

GHS-EinstufungThis chemical does not meet GHS hazard criteria for 6.7% (3 of 45) of reports.DangerH301 (93.3%): Toxic if swallowed [Danger Acute toxicity, oral]P233, P260, P261, P264, P264+P265, P270, P271, P272, P280, P284, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and CategoriesAcute Tox. 3 (93.3%)
WechselwirkungenINHIBITORY EFFECT OF METHAMIDE (POTENT H2 ANTAGONIST) ON GASTRIC ACID SECRETION ELICITED BY CONTINUOUS HISTAMINE IV INFUSION IN MAX EFFECTIVE DOSE (20 UMOLE/HR) IN DOGS IS SHOWN TO BE APPROX 20%/10 UMOLE/KG AFTER 1.5 HR. COMPARABLE EFFECTS WERE OBSERVED IN NORMAL HUMANS IN SAME STUDY. /H2-RECEPTOR ANTAGONISTS, FROM TABLE/IN GUINEA PIGS, DEATH BY ASPHYXIA FOLLOWS QUITE SMALL DOSES OF HISTAMINE, YET ANIMAL MAY SURVIVE A HUNDRED LETHAL DOSES OF HISTAMINE IF GIVEN AN H1-BLOCKING DRUG. IN SAME SPECIES, H1 ANTAGONISTS OFFER STRIKING PROTECTION AGAINST ANAPHYLACTIC BRONCHOSPASM, BUT THIS IS NOT SO IN MAN... /H1-RECEPTOR ANTAGONISTS/
Natural Pollution SourcesOCCURS WIDELY IN NATURE AS A RESULT OF PUTREFACTIVE PROCESSES..../HISTAMINE/ IS A NATURAL CONSTITUENT OF BODY. ... LIBERATED FROM CELLS OF SKIN BY INJURIOUS STIMULI.../&/ INVOLVED IN MANY... DIVERSE PHYSIOLOGICAL PROCESSES...HISTAMINE RECEPTORS...FALL INTO 2 BROAD CLASSES: H1 & H2...HISTAMINE IS WIDELY, IF UNEVENLY, DISTRIBUTED THROUGHOUT ANIMAL KINGDOM & IS PRESENT IN MANY VENOMS, NOXIOUS SECRETIONS, BACTERIA & PLANTS.
Human Toxicity ExcerptsOVERDOSAGE WITH HISTAMINE IS RARE, & SYMPTOMS ARE GENERALLY NOT DANGEROUS. HOWEVER, MASSIVE DOSES CAUSE INTENSE HEADACHE, FLUSHING, PROFOUND FALL OF BLOOD PRESSURE, BRONCHOSPASM, DYSPNEA, A METALLIC TASTE, VOMITING & DIARRHEA..../EYE EFFECT/ OF AN 8% SOLN OF HISTAMINE HYDROCHLORIDE HAS BEEN DESCRIBED IN CASE OF GIRL WHO SPILLED SOME...ON HER HANDKERCHIEF & CONTAMINATED HER RIGHT EYE... IN 10 MIN CONJUNCTIVAE BECAME HYPEREMIC & LIDS EDEMATOUS, WITHOUT DISCOMFORT. REACTION HAD NEARLY DISAPPEARED IN 5 HR & COMPLETELY GONE NEXT DAY... /HCL SALT/IN SOME HUMAN GLAUCOMATOUS EYES, APPLICATION OF 3% HISTAMINE HYDROCHLORIDE EYEDROPS HAS BEEN KNOWN TO CAUSE RISE IN OCULAR PRESSURE, PARTICULAR IN CASES OF ACUTE GLAUCOMA. /HCL SALT/...INJECTED INTRADERMALLY...TRIPLE RESPONSE /FOLLOWS/...RED SPOT...BRIGHTER RED...FLARE...DEVELOPING...MORE SLOWLY, &...LOCALIZED EDEMA...DUE TO LOCAL DILATATION OF MINUTE BLOOD VESSELS /&/...DILATATION OF NEIGHBORING ARTERIOLES.../& EDEMA/ DUE TO DIRECT ACTION...ON WALLS OF...VESSELS TO INCR THEIR PERMEABILITY.
Non-Human Toxicity ExcerptsIN MOST EXPTL SUSCEPTIBLE SPECIES (CALVES, SWINE, DUCKS, GUINEA PIGS, CATS, DOGS), IM INJECTIONS OF HISTAMINE IN BEESWAX AT RATE OF 1-4 MG/KG/DAY PRODUCES GASTRIC ULCERS WITHIN 1-6 WK.EXPT ON EXCISED BEEF CORNEAS HAVE DEMONSTRATED THAT HISTAMINE AT CONCN AS LOW AS 0.000005 MOLAR HAS AN UNUSUAL CAPACITY FOR LOOSENING SUPERFICIAL EPITHELIAL CELLS FROM BASAL CELLS OF CORNEA AFTER SEVERAL HR OF INCUBATION.