Histamine diphosphate

CAT: 0926-FH46936-02Size: 2 gDry Ice: NoHazardous: No

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CAT#:0926-FH46936-02Size:2 g

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CAS Number

23297-93-0

Synonyms

2- (4-Imidazolyl) ethylamine diphosphate salt

MDL Number

MFCD00064316

Smiles

NCCc1cnc[nH]1.OP (=O) (O) O.OP (=O) (O) O

Molecular Formula

C5H9N3• (H3PO4) 2

Molecular Weight

307.14 g/mol

Controlled

Chemical Information

Diphosphoric acid--2-(1H-imidazol-5-yl)ethan-1-amine (1/1)

CAS Number	23297-93-0
PubChem CID	53445105
IUPAC Name	2-(1H-imidazol-5-yl)ethanamine;phosphono dihydrogen phosphate
Molecular Formula	C5H13N3O7P2
Molecular Weight	289.12
Topological Polar Surface Area	179
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	4
Heavy Atom Count	17
Formal Charge	0
Complexity	212

SMILES

C1=C(NC=N1)CCN.OP(=O)(O)OP(=O)(O)O

InChI

InChI=1S/C5H9N3.H4O7P2/c6-2-1-5-3-7-4-8-5;1-8(2,3)7-9(4,5)6/h3-4H,1-2,6H2,(H,7,8);(H2,1,2,3)(H2,4,5,6)

InChIKey

VOPXPSRSSTZWBF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 23297-93-0

CID: 53445105

Formula: C5H13N3O7P2

MW: 289.12

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	289.12
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	4
Exact Mass	289.02287376
Monoisotopic Mass	289.02287376
Topological Polar Surface Area	179 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	212
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

Catalog	Name
13488706-25g	Histamine diphosphate
279772-01	Histamine diphosphate monohydrate
44043000-2	Histamine