Basic information
- CAS
40255-50-3- Standard SMILES
COc1ccc(N2CCN(CCCN)CC2)cc1- InChIKey
VHYFECUKHCCEAK-UHFFFAOYSA-N- Molecular formula
- C14H23N3O
- Average molar mass
- 249.35 g/mol
- Monoisotopic mass
- 249.18411237
Names & identifiers
- Preferred name
- 3-[4-(4-Methoxyphenyl)piperazin-1-yl]propan-1-amine
- IUPAC
- 3-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-amine
- English name
- 3-[4-(4-METHOXYPHENYL)PIPERAZIN-1-YL]PROPAN-1-AMINE
- Molecular formula
- C14H23N3O
- Molecular weight
- 249.35
Names & synonyms
40255-50-33-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-amineMFCD03030379SMR0000746643-(4-(4-Methoxyphenyl)piperazin-1-yl)propan-1-amine3-[4-(4-methoxyphenyl)-1-piperazinyl]-1-propanamine1-Piperazinepropanamine,4-(4-methoxyphenyl)-MLS000063172MLS004820185CHEMBL1367027SCHEMBL11354876DTXSID10366942
Show more names
1-Piperazinepropanamine, 4-(4-methoxyphenyl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]propylamine3-[4-(4-methoxyphenyl)-1-piperazinyl]propan-1-amine
VHYFECUKHCCEAK-UHFFFAOYSA-NHMS2300I04ALBB-007103STK500296AKOS000201072LS-02578CS-0308928EN300-14112
Database identifiers
- CAS
40255-50-3- PubChem CID
- 2197701
- DTXSID
DTXSID10366942- ChEMBL
CHEMBL1367027
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 41.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 221
Physicochemical properties
- Boiling point
- 404 · 404.0±45.0 °C(Predicted)
- Density
- 1.063 · 1.063±0.06 g/cm3(Predicted)
- pka
- 10.39 · 10.39±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.
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
Suppliers4 total
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
2 records
Compound notes
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