Tramazoline Hydrochloride Monohydrate

1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

N-(5,6,7,8-tetrahydronaphthalen-1-yl)-4,5-dihydro-1H-imidazol-2-amine;hydrate;hydrochloride

2.1.2 InChI

InChI=1S/C13H17N3.ClH.H2O/c1-2-6-11-10(4-1)5-3-7-12(11)16-13-14-8-9-15-13;;/h3,5,7H,1-2,4,6,8-9H2,(H2,14,15,16);1H;1H2

2.1.3 InChI Key

FDPYEAXJRLQOGE-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1CCC2=C(C1)C=CC=C2NC3=NCCN3.O.Cl

2.2 Other Identifiers

2.2.1 UNII

9DF5N42U1U

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 74195-73-6

2. 9df5n42u1u

3. N-(5,6,7,8-tetrahydronaphthalen-1-yl)-4,5-dihydro-1h-imidazol-2-amine Hydrochloride Hydrate

4. N-(5,6,7,8-tetrahydronaphthalen-1-yl)-4,5-dihydro-1h-imidazol-2-amine;hydrate;hydrochloride

5. 1h-imidazol-2-amine, 4,5-dihydro-n-(5,6,7,8-tetrahydro-1-naphthalenyl)-, Monohydrochloride, Monohydrate

6. N-(5,6,7,8-tetrahydronaphthalen-1-yl)-4,5-dihydro-1h-imidazol-2-amine Hydrochloride Monohydrate

7. Unii-9df5n42u1u

8. Tramazoline Hydrochloride Monohydrate [ep]

9. Schembl8378445

10. Dtxsid30225188

11. Q27272398

12. Tramazoline Hydrochloride Monohydrate [ep Monograph]

2.4 Create Date

2007-12-04

3 Chemical and Physical Properties

Molecular Formula	C₁₃H₂₀ClN₃O
Molecular Weight	269.77 g/mol
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	269.1294900 g/mol
Monoisotopic Mass	269.1294900 g/mol
Topological Polar Surface Area	37.4 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	274
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	3

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