Basic information
- CAS
40509-16-8- Standard SMILES
OCC(O)CNCC(O)CO- InChIKey
SAMGBMSEBPZABZ-UHFFFAOYSA-N- Molecular formula
- C6H15NO4
- Average molar mass
- 165.19 g/mol
- Monoisotopic mass
- 165.10010796
Names & identifiers
- Preferred name
- 3,3'-Iminobispropane-1,2-diol
- IUPAC
- 3-(2,3-dihydroxypropylamino)propane-1,2-diol
- English name
- 3,3'-iminobispropane-1,2-diol
- Molecular formula
- C6H15NO4
- Molecular weight
- 165.19
Names & synonyms
40509-16-83,3'-Iminobispropane-1,2-diol3,3'-Azanediylbis(propane-1,2-diol)3-(2,3-dihydroxypropylamino)propane-1,2-dioln,n-bis(2,3-dihydroxypropyl)amineBis-(2,3-dihydroxypropyl)amineEINECS 254-948-71,2-Propanediol, 3,3'-iminobis-UXM23L4DSCSCHEMBL2232621SCHEMBL44283613-[(2,3-DIHYDROXYPROPYL)AMINO]PROPANE-1,2-DIOL
Show more names
DI-(PROPAN-2,3-DIOL)AMINE3,3'-Iminobis(1,2-propanediol)
DTXSID809609113,3'-Iminobis[1,2-propanediol]AKOS0175317083,3'-Azanediyldi(propane-1,2-diol)NS00058030EN300-23906285
Database identifiers
- CAS
40509-16-8- PubChem CID
- 18403554
- DTXSID
DTXSID80960911- UNII
- UXM23L4DSC
- EC Number
- 254-948-7
- Nikkaji
- J332.435D
Properties
Computed structural properties
- XLogP
- -2.8
- Topological polar surface area
- 93 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 80.7
Physicochemical properties
- Boiling point
- 411.3 · 411.3±45.0 °C(Predicted)
- Density
- 1.298 · 1.298±0.06 g/cm3(Predicted)
- pka
- 13.71 · 13.71±0.20(Predicted)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers6 total
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
常州翔龙医药科技有限公司18915873328 18915873328 · [email protected]
Shaanxi Dideu New Materials Co. Ltd18192503167 · [email protected]
BOC Sciences+1-631-485-4226 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
10 records
Compound notes
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