Basic information
- CAS
16545-00-9- Standard SMILES
CCN(CC)CCOC(=O)CCCCC(=O)OCCN(CC)CC- InChIKey
RGAMPJYGTCSRAG-UHFFFAOYSA-N- Molecular formula
- C18H36N2O4
- Average molar mass
- 344.5 g/mol
- Monoisotopic mass
- 344.26750763
Names & identifiers
- Preferred name
- Bis(2-(diethylamino)ethyl) adipate
- IUPAC
- bis[2-(diethylamino)ethyl] hexanedioate
- English name
- bis[2-(diethylamino)ethyl] adipate
- Molecular formula
- C18H36N2O4
- Molecular weight
- 344.49
Names & synonyms
bis[2-(diethylamino)ethyl] adipate16545-00-9EINECS 240-610-6Bis(2-(diethylamino)ethyl) adipateHexanedioic acid, bis[2-(diethylamino)ethyl] esterDTXSID0074897Hexanedioic acid, bis(2-(diethylamino)ethyl) ester1,6-BIS[2-(DIETHYLAMINO)ETHYL] HEXANEDIOATEHexanedioic acid, 1,6-bis(2-(diethylamino)ethyl) esterHexanedioic acid, 1,6-bis[2-(diethylamino)ethyl] ester1,6-Bis(2-(diethylamino)ethyl) hexanedioateRefChem:568678
Show more names
Adipic acid bis[2-(diethylamino)ethyl] esterHexanedioic acid, bis[2- (dimethylamino) ehtyl] ester
DTXCID6035312240-610-6bis[2-(diethylamino)ethyl] hexanedioateTBH38ZX7MLSCHEMBL358239RGAMPJYGTCSRAG-UHFFFAOYSA-NNS00021028
Database identifiers
- CAS
16545-00-9- PubChem CID
- 85487
- DTXSID
DTXSID0074897- UNII
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 59.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 17
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 297
Physicochemical properties
- Melting point
- 39 · 39-41 °C
- Boiling point
- 412.7 · 412.7±25.0 °C(Predicted)
- Density
- 0.992 · 0.992±0.06 g/cm3(Predicted)
- vapor pressure
- 0 Pa · 0Pa at 20℃
- form
- Liquid
- pka
- 9.55 · 9.55±0.25(Predicted)
- LogP
- 2.75 · 2.75
- EPA Substance Registry System
- 2 · Hexanedioic acid, bis[2-(diethylamino)ethyl] ester (16545-00-9)
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 318 · H318-H315
- Precautionary statements
- 280 · P280-P305+P351+P338-P310-P264-P280-P302+P352-P321-P332+P313-P362
- TSCA
- TSCA listed
- REACH Registrations
- Active
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P264+P265, P280, P302+P352, P305+P351+P338, P305+P354+P338, P317, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)
Aggregated GHS information provided per 43 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: Hexanedioic acid, bis[2-(diethylamino)ethyl] ester
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
REACH registered substance: Bis[2-(diethylamino)ethyl] adipate (EC: 240-610-6)
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- tsca
- TSCA listed
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- Hazard statements
- H318-H315
- REACH Registrations
- Active
- Precautionary statements
- P280-P305+P351+P338-P310-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationHexanedioic acid, 1,6-bis[2-(diethylamino)ethyl] ester: ACTIVE
Suppliers3 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
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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