Product Name
Histamine phosphate
Category
Heterocyclic Organic Compound
Synonyms
2-(4-Imidazolyl)ethylamine diphosphate salt monohydrate
IUPAC Name
2-(1H-imidazol-5-yl)ethanamine;phosphoric acid
Molecular Formula
C5H12N3O4P
Canonical SMILES
C1=C(NC=N1)CCN.OP(=O)(O)O.OP(=O)(O)O
InChI
InChI=1S/C5H9N3.2H3O4P/c6-2-1-5-3-7-4-8-5;2*1-5(2,3)4/h3-4H,1-2,6H2,(H,7,8);2*(H3,1,2,3,4)
InChI Key
ZHIBQGJKHVBLJJ-UHFFFAOYSA-N
Covalently-Bonded Unit Count
3
Defined Atom Stereocenter Count
0
Hydrogen Bond Acceptor Count
10
Hydrogen Bond Donor Count
8
Monoisotopic Mass
307.03343844
Safety Description
26-36-45-36/37/39-22
Supplemental Hazard Statements
H319-H302-H315-H317-H318-H334-H335
Topological Polar Surface Area
210 Ų