Basic information
- CAS
886365-94-2- Standard SMILES
OCCCNc1ncc(Br)cn1- InChIKey
PXSBDRBKIJASEA-UHFFFAOYSA-N- Molecular formula
- C7H10BrN3O
- Average molar mass
- 232.08 g/mol
- Monoisotopic mass
- 231.00072
Names & identifiers
- Preferred name
- 3-((5-Bromopyrimidin-2-yl)amino)propan-1-ol
- IUPAC
- 3-[(5-bromopyrimidin-2-yl)amino]propan-1-ol
- English name
- 3-(5-BROMO-PYRIMIDIN-2-YLAMINO)-PROPAN-1-OL
- Molecular formula
- C7H10BrN3O
- Molecular weight
- 232.08
Names & synonyms
886365-94-23-((5-Bromopyrimidin-2-yl)amino)propan-1-ol3-[(5-bromopyrimidin-2-yl)amino]propan-1-ol3-(5-BROMO-PYRIMIDIN-2-YLAMINO)-PROPAN-1-OLDTXSID201263037AKOS013187889AB156393-[(5-Bromo-2-pyrimidinyl)amino]-1-propanol1-Propanol, 3-[(5-bromo-2-pyrimidinyl)amino]-
Database identifiers
- CAS
886365-94-2- PubChem CID
- 3940574
- DTXSID
DTXSID201263037
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 58 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 117
Physicochemical properties
- Boiling point
- 394.8 · 394.8±48.0 °C(Predicted)
- Density
- 1.633 · 1.633±0.06 g/cm3(Predicted)
- pka
- 14.93 · 14.93±0.10(Predicted)
Chemistry & industry
Suppliers1 total
常州合晶化工有限公司85528066 13775048983 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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