Histamine phosphate

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Catalog Number
ACM51741
Product Name
Histamine phosphate
Structure
Structure
CAS
51-74-1
Category
Heterocyclic Organic Compound
Synonyms
2-(4-Imidazolyl)ethylamine diphosphate salt monohydrate
IUPAC Name
2-(1H-imidazol-5-yl)ethanamine;phosphoric acid
Molecular Weight
209.14
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
Melting Point
128-132 °C
Appearance
White solid
Complexity
115
Covalently-Bonded Unit Count
3
Defined Atom Stereocenter Count
0
Exact Mass
307.03343844
Hazard Statements
Xn
Heavy Atom Count
18
Hydrogen Bond Acceptor Count
10
Hydrogen Bond Donor Count
8
Monoisotopic Mass
307.03343844
Physical State
Powder
Rotatable Bond Count
2
Safety Description
26-36-45-36/37/39-22
Supplemental Hazard Statements
H319-H302-H315-H317-H318-H334-H335
Symbol
GHS05,GHS07,GHS08
Topological Polar Surface Area
210 Ų
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