chempirical

(+-)-Tetrahydrozoline

C13H16N2CAS 84-22-0200.28 g/mol

Open in Covalent MOL file
NNH
Amidine

Properties

Molecular formula
C13H16N2
Molar mass
200.28 g/mol
Exact mass
200.1313 Da
Melting point
117–119 °C
logP
2.11Crippen estimate
Polar surface area
24.4 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

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
84-22-0
SMILES
c1ccc2c(c1)CCCC2C1=NCCN1
InChIKey
BYJAVTDNIXVSPW-UHFFFAOYSA-N
InChI
InChI=1S/C13H16N2/c1-2-6-11-10(4-1)5-3-7-12(11)13-14-8-9-15-13/h1-2,4,6,12H,3,5,7-9H2,(H,14,15)

Weigh it out

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

Names and synonyms

12 names
  • (±)-Tetrahydrozoline
  • 1H-Imidazole, 4,5-dihydro-2-(1,2,3,4-tetrahydro-1-naphthalenyl)-
  • 2-Imidazoline, 2-(1,2,3,4-tetrahydro-1-naphthyl)-
  • 4,5-Dihydro-2-(1,2,3,4-tetrahydro-1-naphthalenyl)-1H-imidazole
  • 2-(1,2,3,4-Tetrahydro-1-naphthyl)-2-imidazoline
  • Tetrahydrozoline
  • Tetryzoline
  • Tetryzolin
  • Dl-Tetrahydrozoline
  • Ocuzolin
  • Tetryvil
  • 2-(1,2,3,4-Tetrahydronaphthalen-1-yl)-4,5-dihydro-1H-imidazole

Work with (+-)-Tetrahydrozoline

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 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.

Tetrahydrozoline hydrochloride522-48-5Salt

Similar compounds

1,2,3,4-Tetrahydro-1-naphthoic acid1914-65-450 % similar (+)-1,2,3,4-Tetrahydronaphthalene-1-carboxylic acid23357-47-350 % similar (-)-1,2,3,4-Tetrahydronaphthalene-1-carboxylic acid85977-52-250 % similar 1-Chloro-1,2,3,4-tetrahydronaphthalene113110-47-743 % similar 1,2,3,4-Tetrahydro-1-naphthylamine2217-40-543 % similar (R)-(-)-1,2,3,4-Tetrahydro-1-naphthol23357-45-143 % similar (-)-1,2,3,4-Tetrahydro-1-naphthylamine23357-46-243 % similar (+)-1,2,3,4-Tetrahydro-1-naphthylamine23357-52-043 % similar

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

Same formula

Medetomidine106807-72-1 Dexmedetomidine113775-47-6 3-(4-Piperidinyl)-1H-indole17403-09-7 5-(2-Methylpropyl)-1-phenyl-1H-pyrazole3191-86-4 Medetomidine86347-14-0

Elsewhere

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