chempirical

Benzydamine

C19H23N3OCAS 642-72-8309.41 g/mol

Open in Covalent MOL file
NONN
EtherTertiary amine

Properties

Molecular formula
C19H23N3O
Molar mass
309.41 g/mol
Exact mass
309.1841 Da
Melting point
167–170 °C
Boiling point
160 °C
pKa
9.27
logP
3.42Crippen estimate
Polar surface area
30.3 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
7

Hazards

Warning
Irritant (GHS07)

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P317, P330, P501

Identifiers

CAS number
642-72-8
SMILES
CN(C)CCCOc1nn(Cc2ccccc2)c2ccccc12
InChIKey
CNBGNNVCVSKAQZ-UHFFFAOYSA-N
InChI
InChI=1S/C19H23N3O/c1-21(2)13-8-14-23-19-17-11-6-7-12-18(17)22(20-19)15-16-9-4-3-5-10-16/h3-7,9-12H,8,13-15H2,1-2H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

10 names
  • 1-Propanamine, N,N-dimethyl-3-[[1-(phenylmethyl)-1H-indazol-3-yl]oxy]-
  • 1H-Indazole, 1-benzyl-3-[3-(dimethylamino)propoxy]-
  • N,N-Dimethyl-3-[[1-(phenylmethyl)-1H-indazol-3-yl]oxy]-1-propanamine
  • Benzindamine
  • 1-Benzyl-3-[3-(dimethylamino)propoxy]-1H-indazole
  • Benzidamine
  • 1-Benzyl-3-dimethylaminopropoxy-1H-indazole
  • 1-Benzyl-3-(γ-dimethylaminopropoxy)-1H-indazole
  • 1-Benzyl-3-[3-(dimethylamino)propoxy]indazole
  • 3-(1-Benzylindazol-3-yl)oxy-N,N-dimethylpropan-1-amine

Work with Benzydamine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Benzidamine hydrochloride132-69-4Salt

Similar compounds

Bendazac20187-55-753 % similar 1-Benzyl-1H-indazol-3-ol2215-63-646 % similar Bendazac L-lysine salt81919-14-441 % similar Bindarit130641-38-239 % similar N,N-Dimethylphenethylamine hydrochloride10275-21-534 % similar N1,N1-Dimethyl-N2-(phenylmethyl)-1,2-ethanediamine103-55-932 % similar Diphenhydramine58-73-131 % similar Dimethylbenzylamine103-83-331 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

4,5-Dihydro-N-[4-[[4-(1-methylethoxy)phenyl]methyl]phenyl]-1H-imidazol-2-amine221529-58-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook