Basic information
- CAS
761440-92-0- Standard SMILES
COc1cc(N2CCN(C(C)C)CC2)ccc1N- InChIKey
IYFHZZYIEKQGQT-UHFFFAOYSA-N- Molecular formula
- C14H23N3O
- Average molar mass
- 249.35 g/mol
- Monoisotopic mass
- 249.18411237
Names & identifiers
- Preferred name
- 4-(4-Isopropylpiperazin-1-YL)-2-methoxyphenylamine
- IUPAC
- 2-methoxy-4-(4-propan-2-ylpiperazin-1-yl)aniline
- English name
- 4-[4-(1-methylethyl)-1-piperazinyl]-2-(methyloxy)aniline
- Molecular formula
- C14H23N3O
- Molecular weight
- 249.35
Names & synonyms
761440-92-04-(4-ISOPROPYLPIPERAZIN-1-YL)-2-METHOXYPHENYLAMINE4-[4-(1-methylethyl)-1-piperazinyl]-2-(methyloxy)aniline2-methoxy-4-(4-propan-2-ylpiperazin-1-yl)aniline4-(4-isopropylpiperazin-1-yl)-2-methoxyanilineMFCD12546985SCHEMBL310368IYFHZZYIEKQGQT-UHFFFAOYSA-NDTXSID301201040AKOS005256572DB-3399754-(4-isopropylpiperazin-1-yl)-2-methoxy-aniline
Show more names
Benzenamine, 2-methoxy-4-[4-(1-methylethyl)-1-piperazinyl]-
2-Methoxy-4-[4-(propan-2-yl)piperazin-1-yl]aniline2-Methoxy-4-[4-(1-methylethyl)-1-piperazinyl]benzenamine[4-[4-(1-methylethyl)-1-piperazinyl]-2-(methyloxy)phenyl]amine
Database identifiers
- CAS
761440-92-0- PubChem CID
- 45790739
- DTXSID
DTXSID301201040
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 41.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 251
Physicochemical properties
- Boiling point
- 409.6 · 409.6±45.0 °C(Predicted)
- Density
- 1.078 · 1.078±0.06 g/cm3(Predicted)
- pka
- 8.28 · 8.28±0.10(Predicted)
Chemistry & industry
Suppliers1 total
上海百韧生物科技有限公司13564638271 · [email protected]
Related reactions
11 records
Compound notes
Loading…