Basic information
- CAS
23098-07-9- Standard SMILES
CCOC(CN1CCCC1)OCC- InChIKey
PYFLZPWAPYSHHP-UHFFFAOYSA-N- Molecular formula
- C10H21NO2
- Average molar mass
- 187.28 g/mol
- Monoisotopic mass
- 187.15722891
Names & identifiers
- Preferred name
- 1-Pyrrolidineacetaldehyde, diethyl acetal
- IUPAC
- 1-(2,2-diethoxyethyl)pyrrolidine
- English name
- 1-Pyrrolidineacetaldehydediethylacetal
- Molecular formula
- C10H21NO2
- Molecular weight
- 187.28
Names & synonyms
23098-07-91-Pyrrolidineacetaldehyde, diethyl acetalDTXSID20177667RefChem:1057045DTXCID801001581-(2,2-diethoxyethyl)pyrrolidine1-PyrrolidineacetaldehydediethylacetalMFCD00020853NSC-65621Pyrrolidine, 1-(2,2-diethoxyethyl)-NSC 656211-Pyrrolidineacetaldehyde diethyl acetal
Show more names
BRN 0001921NSC656214-20-00-00168 (Beilstein Handbook Reference)UWH34349YSAKOS012928883BS-53016CS-0161976E76203
Database identifiers
- CAS
23098-07-9- PubChem CID
- 96290
- DTXSID
DTXSID20177667- UNII
- UWH34349YS
- EC Number
- 630-749-4
- Nikkaji
- J106.937C
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 21.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 118
Physicochemical properties
- Boiling point
- 77 °C · 77 °C(Press: 1.4 Torr)
- Density
- 0.953 · 0.953±0.06 g/cm3(Predicted)
- pka
- 10.21 · 10.21±0.20(Predicted)
- Symbol(GHS)
- 5 · GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 315 · H315-H318-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P310-P321-P332+P313-P362-P403+P233-P405-P501
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]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- Hazard statements
- H315-H318-H335
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P310-P321-P332+P313-P362-P403+P233-P405-P501
Chemistry & industry
Suppliers8 total
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
烟台盛凯伦生物制品有限公司13356901049 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
烟台盛凯伦化学科技有限公司13356901049 · [email protected]
上海林栎生物科技有限公司13761635123 · [email protected]
聿锦（天津）科技有限公司13370351217 kungfu1217@1 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…