Basic information
- CAS
4201-22-3- Standard SMILES
Cc1ccc(NC2=NCCN2)c(Cl)c1- InChIKey
KWBTZIFLQYYPTH-UHFFFAOYSA-N- Molecular formula
- C10H12ClN3
- Average molar mass
- 209.67 g/mol
- Monoisotopic mass
- 209.0719751
Overview
Tolonidine is a substituted aniline.
Names & identifiers
- Preferred name
- Tolonidine
- IUPAC
- N-(2-chloro-4-methylphenyl)-4,5-dihydro-1H-imidazol-2-amine
- English name
- tolonidine
- Molecular formula
- C10H12ClN3
- Molecular weight
- 209.68
Names & synonyms
Tolonidine4201-22-3N-(2-chloro-4-methylphenyl)-4,5-dihydro-1H-imidazol-2-amineTolonidinaTolonidinumST-375ST 375I4O795Q03ODTXSID80194815RefChem:190300C02AC04DTXCID20117306
Show more names
1H-Imidazol-2-amine, N-(2-chloro-4-methylphenyl)-4,5-dihydro-
EuctanTolonidine (INN)TOLONIDINE [INN]Tolonidine [INN:DCF]Tolonidinum [INN-Latin]Tolonidina [INN-Spanish]UNII-I4O795Q03OMFCD00865890
Database identifiers
- CAS
4201-22-3- PubChem CID
- 72138
- DTXSID
DTXSID80194815- ChEMBL
CHEMBL304253- ChEBI
CHEBI:134879- UNII
- I4O795Q03O
- Nikkaji
- J9.617B
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 36.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 229
Experimental & physicochemical properties
LogP1.87
Physicochemical properties
- Melting point
- 148 · 148-150°
- Boiling point
- 314 · 314.0±52.0 °C(Predicted)
- Density
- 1.31 · 1.31±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · Store at -20°C
- solubility
- Soluble in DMSO
- pka
- 9.41 · 9.41(at 25℃)
- form
- Solid
- color
- White to off-white
- FDA UNII
- 4 O795Q03O · I4O795Q03O
- ATC code
- 2 AC04 · C02AC04
Chemistry & industry
Pharmacology
ATC Code
C - Cardiovascular system
QC - Cardiovascular system
Upstream & downstream products
Upstream raw materials
Suppliers8 total
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
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Related reactions
0 records
No reaction records under the current filter.
Compound notes
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