Basic information
- CAS
185563-93-3- Standard SMILES
Nc1nccn1C(c1ccccc1)(c1ccccc1)c1ccccc1- InChIKey
HKYAKZXAOGNRHX-UHFFFAOYSA-N- Molecular formula
- C22H19N3
- Average molar mass
- 325.4 g/mol
- Monoisotopic mass
- 325.15789762
Names & identifiers
- Preferred name
- 2-Amino-1-trityl-imidazole
- IUPAC
- 1-tritylimidazol-2-amine
- English name
- 2-AMINO-1-TRITYL-IMIDAZOLE
- Molecular formula
- C22H19N3
- Molecular weight
- 325.41
Names & synonyms
2-amino-1-trityl-imidazole185563-93-3RefChem:463290631-599-21-tritylimidazol-2-amine1-trityl-2-aminoimidazoleN-trityl-2-aminoimidazoleSCHEMBL22798281-Trityl-1H-imidazol-2-amine1-trityl-1H-imidazole-2-amineHKYAKZXAOGNRHX-UHFFFAOYSA-NMFCD09908033
Show more names
1H-Imidazol-2-amine, 1-(triphenylmethyl)-
E87385F853632
Database identifiers
- CAS
185563-93-3- PubChem CID
- 10358974
- EC Number
- 631-599-2
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 43.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 360
Physicochemical properties
- Boiling point
- 546.6 · 546.6±60.0 °C(Predicted)
- Density
- 1.12 · 1.12±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C, protect from light
- pka
- 7.62 · 7.62±0.50(Predicted)
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301-H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P310-P321-P330-P405-P501
Safety & regulation
GHS classification
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- Hazard statements
- H301-H315-H319-H335
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P310-P321-P330-P405-P501
Chemistry & industry
Suppliers1 total
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Related reactions
5 records
Compound notes
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