Histamine Dihydrochloride

Catalog Number	ACM56928
CAS	56-92-8
Structure
IUPAC Name	2-(1H-imidazol-5-yl)ethanamine;dihydrochloride
Synonyms	2-(3H-Imidazol-4-yl)ethanamine dihydrochloride
Molecular Weight	184.07
Molecular Formula	C5H11Cl2N3
Canonical SMILES	C1=C(NC=N1)CCN.Cl.Cl
InChI	InChI=1S/C5H9N3.2ClH/c6-2-1-5-3-7-4-8-5;;/h3-4H,1-2,6H2,(H,7,8);2*1H
InChI Key	PPZMYIBUHIPZOS-UHFFFAOYSA-N
Melting Point	249-252 °C (lit.)
Flash Point	180.3ºC
Purity	98%
Density	1.14 g/cm³
Solubility	Methanol (Slightly, Heated), Water (Slightly)
Appearance	White to off-white solid
Application	Present in most mammalian tissues; primarily stored in mast cells and basophils. Exhibits multiple biological effects through at least 3 specific receptors. Induces bronchoconstriction and vasodilation; stimulates gastric acid secretion; and acts as a neurotransmitter. Histamine has been identified as a bedbug pheromone.
Storage	Refrigerator
Complexity	64.7
Covalently-Bonded Unit Count	3
Exact Mass	183.0330028
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	2
Log P	2.21520
MDL Number	MFCD00012703
Monoisotopic Mass	183.0330028
PSA	54.7
References	Dale, H.H., et al.: J. Physiol., 41, 318 (1910); Oosting, E., et al.: Clin. Exp. Allergy, 20, 349 (1990); Hill, S.J., et al.: Pharmacol. Rev., 49, 253 (1997); Chem. and Eng. News, p. 9, Jan 5, 2015
Rotatable Bond Count	2
Stability	Stable. Incompatible with strong oxidizing agents.
Topological Polar Surface Area	54.7 Å²
WGK Germany	2

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