1-Naphthylamine, N-(2-imidazolin-2-yl)-
Basic information
- CAS
4751-46-6- Standard SMILES
c1ccc2c(NC3=NCCN3)cccc2c1- InChIKey
CVSIGGCDCSNCSY-UHFFFAOYSA-N- Molecular formula
- C13H13N3
- Average molar mass
- 211.26 g/mol
- Monoisotopic mass
- 211.11094742
Names & identifiers
- Preferred name
- 1-Naphthylamine, N-(2-imidazolin-2-yl)-
- IUPAC
- N-naphthalen-1-yl-4,5-dihydro-1H-imidazol-2-amine
- English name
- TRAMAZOLINE IMPURITY A
- Molecular formula
- C13H13N3
- Molecular weight
- 211.26
Names & synonyms
4751-46-62-(1-Naphthylamino)-2-imidazoline1-NAPHTHYLAMINE, N-(2-IMIDAZOLIN-2-YL)-N-(2-Imidazolin-2-yl)-1-naphthylamineDTXSID90197170RefChem:232393DTXCID00119661N-(Naphthalen-1-yl)-4,5-dihydro-1H-imidazol-2-amineN-naphthalen-1-yl-4,5-dihydro-1H-imidazol-2-amineTramazoline impurity A CRSSCHEMBL1741683SCHEMBL4715719
Show more names
TRAMAZOLINE IMPURITY A1H-Imidazol-2-amine, 4,5-dihydro-N-1-naphthalenyl-
SCHEMBL30357746imidazolidin-2-ylidene-naphthalen-1-yl-amineN-(2-imidazolidinylidene)-1-naphthalenamineTramazoline Hydrochloride Monohydrate EP Impurity ATramazoline Impurity 1 (Tramazoline EP Impurity A)
Database identifiers
- CAS
4751-46-6- PubChem CID
- 20866
- DTXSID
DTXSID90197170- Nikkaji
- J61.701F
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 36.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 274
Physicochemical properties
- Melting point
- 150 °C · 150 °C
- Boiling point
- 377.6 · 377.6±25.0 °C(Predicted)
- Density
- 1.23 · 1.23±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 9.8 · 9.80±0.20(Predicted)
- Major Application
- pharmaceutical (small molecule)
- InChI
- 1S/C13H13N3/c1-2-6-11-10(4-1)5-3-7-12(11)16-13-14-8-9-15-13/h1-7H,8-9H2,(H2,14,15,16)
- InChIKey
- CVSIGGCDCSNCSY-UHFFFAOYSA-N
- SMILES
- N1CCN=C1Nc2c3c(ccc2)cccc3
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 24 · NA.24
Chemistry & industry
Applications
UsesTramazoline impurity A EP Reference standard, intended for use in laboratory tests only as specifically prescribed in the European Pharmacopoeia.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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