1H-Imidazol-2-amine, N-(2-chloro-4-methylphenyl)-4,5-dihydro-, nitrate (1:?)
Basic information
- CAS
4201-23-4- Standard SMILES
Cc1ccc(NC2=NCCN2)c(Cl)c1.O=[N+]([O-])O- InChIKey
SEIGDXGATKHXKR-UHFFFAOYSA-N- Molecular formula
- C10H13ClN4O3
- Average molar mass
- 272.69 g/mol
- Monoisotopic mass
- 272.067618
Names & identifiers
- Preferred name
- 1H-Imidazol-2-amine, N-(2-chloro-4-methylphenyl)-4,5-dihydro-, nitrate (1:?)
- IUPAC
- N-(2-chloro-4-methylphenyl)-4,5-dihydro-1H-imidazol-2-amine;nitric acid
- English name
- N-(2-chloro-p-tolyl)-4,5-dihydro-1H-imidazol-2-amine mononitrate
- Molecular formula
- C10H13ClN4O3
- Molecular weight
- 272.68822
Names & synonyms
2-(2-Chloro-p-toluidino)-2-imidazoline nitrate4201-23-4RefChem:10579071H-Imidazol-2-amine, N-(2-chloro-4-methylphenyl)-4,5-dihydro-, nitrate (1:?)224-105-8Tolonidine nitrateEuctan57524-15-975W1B0GTHAN-(2-chloro-4-methylphenyl)-4,5-dihydro-1H-imidazol-2-amine;nitric acidCERM 10,137EINECS 260-785-2
Show more names
1H-Imidazol-2-amine, 4,5-dihydro-N-(2-chloro-4-methylphenyl)-, mononitrate
UNII-75W1B0GTHAN-(2-Chloro-p-tolyl)-4,5-dihydro-1H-imidazol-2-amine mononitrateEINECS 224-105-8SCHEMBL871225TOLONIDINE NITRATE [MI]SCHEMBL11449439SEIGDXGATKHXKR-UHFFFAOYSA-NDTXSID101350514
Database identifiers
- CAS
4201-23-4、57524-15-9- PubChem CID
- 198360
- DTXSID
DTXSID101350514- UNII
- 75W1B0GTHA
- EC Number
- 224-105-8、260-785-2
Properties
Computed structural properties
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 254
Physicochemical properties
- Melting point
- 162 · 162-164°
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 75 W1B0GTHA · 75W1B0GTHA
- Toxicity
- 50 in · LD50 in male mice, rats (mg/kg): 160, 420 orally; 21.25, 42 i.v. (Cosnier)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Toxicity
- LD50 in male mice, rats (mg/kg): 160, 420 orally; 21.25, 42 i.v. (Cosnier)
Chemistry & industry
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