Basic information
- CAS
497853-95-9- Standard SMILES
Cn1ccnc1C(O)c1ccc(N)cc1- InChIKey
LRLMBYIRRCQVAM-UHFFFAOYSA-N- Molecular formula
- C11H13N3O
- Average molar mass
- 203.24 g/mol
- Monoisotopic mass
- 203.10586205
Names & identifiers
- Preferred name
- (4-aminophenyl)(1-methyl-1H-imidazol-2-yl)methanol
- IUPAC
- (4-aminophenyl)-(1-methylimidazol-2-yl)methanol
- English name
- (4-AMINOPHENYL)(1-METHYL-1H-IMIDAZOL-2-YL)METHANOL
- Molecular formula
- C11H13N3O
- Molecular weight
- 203.24
Names & synonyms
(4-aminophenyl)(1-methyl-1H-imidazol-2-yl)methanol497853-95-9RefChem:402403870-727-3(4-aminophenyl)-(1-methylimidazol-2-yl)methanolMFCD066193371H-Imidazole-2-methanol, alpha-(4-aminophenyl)-1-methyl-(4-aminophenyl)(1-methylimidazol-2-yl)methan-1-olSCHEMBL6651894HMS1699H07ALBB-024460SBB007486
Show more names
ZERO/005495BAS 13090791(4-aminophenyl)-(1-methyl-2-imidazolyl)methanol1H-Imidazole-2-methanol, α-(4-aminophenyl)-1-methyl-
STK735197AKOS000144289AKOS016347462LS-08002ST4125040CS-0215657EN300-27140G35042
Database identifiers
- CAS
497853-95-9- PubChem CID
- 4912907
- EC Number
- 870-727-3
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 64.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 204
Physicochemical properties
- Boiling point
- 478.6 · 478.6±40.0 °C(Predicted)
- Density
- 1.25 · 1.25±0.1 g/cm3(Predicted)
- pka
- 13.06 · 13.06±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H335-H319-H315
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, 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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H335-H319-H315
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501
Chemistry & industry
Suppliers2 total
常州合晶化工有限公司85528066 13775048983 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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