Basic information
- CAS
1154894-63-9- Standard SMILES
CC(C)(CO)Nc1ccc(Br)cn1- InChIKey
CESZUUDROCEANH-UHFFFAOYSA-N- Molecular formula
- C9H13BrN2O
- Average molar mass
- 245.12 g/mol
- Monoisotopic mass
- 244.02113
Names & identifiers
- Preferred name
- 2-((5-Bromopyridin-2-yl)amino)-2-methylpropan-1-ol
- IUPAC
- 2-[(5-bromo-2-pyridinyl)amino]-2-methylpropan-1-ol
- English name
- 2-[(5-Bromo-2-pyridinyl)amino]-2-methyl-1-propanol
- Molecular formula
- C9H13BrN2O
- Molecular weight
- 245.12
Names & synonyms
1154894-63-92-[(5-bromopyridin-2-yl)amino]-2-methylpropan-1-ol2-((5-Bromopyridin-2-yl)amino)-2-methylpropan-1-olRefChem:449656981-044-62-[(5-BROMO-2-PYRIDINYL)AMINO]-2-METHYL-1-PROPANOLSCHEMBL7900683CHEMBL5016486EWB89463AKOS008132223CS-0258766EN300-71311
Show more names
1-Propanol, 2-[(5-bromo-2-pyridinyl)amino]-2-methyl-
2-[(5-bromo-2-pyridyl)amino]-2-methyl-propan-1-olZ425730706
Database identifiers
- CAS
1154894-63-9- PubChem CID
- 43500209
- ChEMBL
CHEMBL5016486- EC Number
- 981-044-6
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 45.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 164
Physicochemical properties
- Boiling point
- 348.1 · 348.1±32.0 °C(Predicted)
- Density
- 1.482 · 1.482±0.06 g/cm3(Predicted)
- pka
- 15.15 · 15.15±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- HazardClass
- IRRITANT
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_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers3 total
常州合晶化工有限公司85528066 13775048983 · [email protected]
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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