4-Hydroxy-3-nitrophenylethylamine nitrate

CAT: 0926-FH66487-03Size: 2000 mgDry Ice: NoHazardous: No

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CAT#:0926-FH66487-03Size:2000 mg

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CAS Number

63195-79-9

Synonyms

3-Nitrotyramine nitrate

MDL Number

MFCD06795816

Smiles

NCCc1ccc (O) c (c1) [N+] (=O) [O-].ON (=O) =O

Molecular Formula

C8H10N2O3•HNO3

Molecular Weight

245.19 g/mol

Controlled

Chemical Information

4-Hydroxy-3-nitrophenylethylamine nitrate

CAS Number	63195-79-9
PubChem CID	24721068
IUPAC Name	4-(2-aminoethyl)-2-nitrophenol;nitric acid
Molecular Formula	C8H11N3O6
Molecular Weight	245.19
Topological Polar Surface Area	158
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	2
Heavy Atom Count	17
Formal Charge	0
Complexity	205

SMILES

C1=CC(=C(C=C1CCN)[N+](=O)[O-])O.[N+](=O)(O)[O-]

InChI

InChI=1S/C8H10N2O3.HNO3/c9-4-3-6-1-2-8(11)7(5-6)10(12)13;2-1(3)4/h1-2,5,11H,3-4,9H2;(H,2,3,4)

InChIKey

VPXUEKJUYGBXTM-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 63195-79-9

CID: 24721068

Formula: C8H11N3O6

MW: 245.19

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	245.19
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	2
Exact Mass	245.06478508
Monoisotopic Mass	245.06478508
Topological Polar Surface Area	158 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	205
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
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Catalog	Name
AX KI 5007-01	Diaminomethylidene-[ (E) -1- (4-hydroxy-3-methylphenyl) ethylideneamino]azanium nitrate
TRC-D432400-1G	3,4-Dichloro Miconazole Nitrate
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