Basic information
- CAS
4038-90-8- Standard SMILES
COC(=O)CCN1CCN(CCC(=O)OC)CC1- InChIKey
ZNYIVYFFZCEWDY-UHFFFAOYSA-N- Molecular formula
- C12H22N2O4
- Average molar mass
- 258.31 g/mol
- Monoisotopic mass
- 258.15795719
Names & identifiers
- Preferred name
- Dimethyl piperazine-1,4-dipropionate
- IUPAC
- methyl 3-[4-(3-methoxy-3-oxopropyl)piperazin-1-yl]propanoate
- English name
- dimethyl piperazine-1,4-dipropionate
- Molecular formula
- C12H22N2O4
- Molecular weight
- 258.31
Names & synonyms
Dimethyl piperazine-1,4-dipropionate4038-90-8dimethyl 3,3'-(piperazine-1,4-diyl)dipropanoateEINECS 223-724-01,4-Piperazinedipropionic acid, dimethyl esterOprea1_718208Oprea1_819047SCHEMBL4489670DTXSID70193372ZNYIVYFFZCEWDY-UHFFFAOYSA-Ndimethyl piperazine-1,4-dipropanoateAKOS017267652
Show more names
Piperazine-1,4-dipropanoic acid dimethyl ester1,4-Piperazinedipropanoic acid, 1,4-dimethyl ester3,3'-(1,4-Piperazinediyl)bis(propionic acid methyl) ester3,3'-(Piperazine-1,4-diyl)bis(propionic acid methyl) ester3,3'-(Piperazine-1,4-diyl)bis(propanoic acid methyl) ester
NS00030768
Database identifiers
- CAS
4038-90-8- PubChem CID
- 77656
- DTXSID
DTXSID70193372- EC Number
- 223-724-0
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 59.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 247
Physicochemical properties
- Melting point
- 55 · 55-56 °C(Solv: heptane (142-82-5))
- Boiling point
- 155 °C · 155 °C(Press: 3 Torr)
- Density
- 1.091 · 1.091±0.06 g/cm3(Predicted)
- pka
- 6.99 · 6.99±0.10(Predicted)
Chemistry & industry
Suppliers1 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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