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Phentolamine acetate

CAT: 1410-M28375-01Size: 1 mL x 10 mM in DMSODry Ice: NoHazardous: No
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CAT#:1410-M28375-01Size:1 mL x 10 mM in DMSO
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Description
Phentolamine acetate is a chemical compound.
CAS Number
249607-96-3
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
341.411
Molecular Formula
C19H23N3O3
Notes
Research use only, not for human use.
Receptor
——

Chemical Information

3-{[(4,5-dihydro-1H-imidazol-2-yl)methyl](4-methylphenyl)amino}phenol; acetic acid
CAS Number249607-96-3
PubChem CID45792519
IUPAC Nameacetic acid;3-[N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-methylanilino]phenol
Molecular FormulaC19H23N3O3
Molecular Weight341.4
Topological Polar Surface Area85.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count25
Formal Charge0
Complexity394
SMILES
CC1=CC=C(C=C1)N(CC2=NCCN2)C3=CC(=CC=C3)O.CC(=O)O
InChI
InChI=1S/C17H19N3O.C2H4O2/c1-13-5-7-14(8-6-13)20(12-17-18-9-10-19-17)15-3-2-4-16(21)11-15;1-2(3)4/h2-8,11,21H,9-10,12H2,1H3,(H,18,19);1H3,(H,3,4)
InChIKey
BKSNZPUAZBUONA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-{[(4,5-dihydro-1H-imidazol-2-yl)methyl](4-methylphenyl)amino}phenol; acetic acid
CAS: 249607-96-3
CID: 45792519
Formula: C19H23N3O3
MW: 341.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight341.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass341.17394160
Monoisotopic Mass341.17394160
Topological Polar Surface Area85.2 Ų
Heavy Atom Count25
Formal Charge0
Complexity394
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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