1-(3,6-Dibromo-carbazol-9-yl)-3-phenethylamino-propan-2-ol
Basic information
- CAS
301160-13-4- Standard SMILES
OC(CNCCc1ccccc1)Cn1c2ccc(Br)cc2c2cc(Br)ccc21- InChIKey
UTVAPCQDVLRLDF-UHFFFAOYSA-N- Molecular formula
- C23H22Br2N2O
- Average molar mass
- 502.2 g/mol
- Monoisotopic mass
- 500.00989
Names & identifiers
- Preferred name
- 1-(3,6-Dibromo-carbazol-9-yl)-3-phenethylamino-propan-2-ol
- IUPAC
- 1-(3,6-dibromocarbazol-9-yl)-3-(2-phenylethylamino)propan-2-ol
- English name
- 1-(3,6-dibromocarbazol-9-yl)-3-(2-phenylethylamino)propan-2-ol
- Molecular formula
- C23H22Br2N2O
- Molecular weight
- 502.24
Names & synonyms
1-(3,6-dibromo-9H-carbazol-9-yl)-3-[(2-phenylethyl)amino]-2-propanolSCHEMBL4110771-(3,6-Dibromo-carbazol-9-yl)-3-phenethylamino-propan-2-olSTK926913AKOS000631148AKOS016316556ST095654AG-690/11383174Z567685201-(3,6-dibromocarbazol-9-yl)-3-[(2-phenylethyl)amino]propan-2-ol1-(3,6-dibromo-9H-carbazol-9-yl)-3-[(2-phenylethyl)amino]propan-2-ol301160-13-4
Show more names
1-(3,6-dibromocarbazol-9-yl)-3-(2-phenylethylamino)propan-2-ol9H-Carbazole-9-ethanol, 3,6-dibromo-α-[[(2-phenylethyl)amino]methyl]-
Database identifiers
- CAS
301160-13-4- PubChem CID
- 2854573
- EC Number
- 152-424-1
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 37.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 461
Physicochemical properties
- Boiling point
- 646.1 · 646.1±55.0 °C(Predicted)
- Density
- 1.53 · 1.53±0.1 g/cm3(Predicted)
- pka
- 14.3 · 14.30±0.20(Predicted)
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
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P273, 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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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