Basic information
- CAS
454452-14-3- Standard SMILES
[2H]C([2H])([2H])C([2H])([2H])C(=O)ON1C(=O)CCC1=O- InChIKey
AASBXERNXVFUEJ-ZBJDZAJPSA-N- Molecular formula
- C7H9NO4
- Average molar mass
- 176.18 g/mol
- Monoisotopic mass
- 176.0845415
Names & identifiers
- Preferred name
- N-Propionyloxy-d5-succinimide, 98 atom % D
- IUPAC
- (2,5-dioxopyrrolidin-1-yl) 2,2,3,3,3-pentadeuteriopropanoate
- English name
- 2,5-Pyrrolidinedione, 1-(1-oxopropoxy-2,2,3,3,3-d5)- (9CI)
- Molecular formula
- C7H9NO4
- Molecular weight
- 171.15
Names & synonyms
454452-14-3DTXSID70733454N-Propionyloxy-d5-succinimide, 98 atom % D1-[(~2~H_5_)Propanoyloxy]pyrrolidine-2,5-dioneSCHEMBL1332211(2,5-dioxopyrrolidin-1-yl) 2,2,3,3,3-pentadeuteriopropanoate2,5-Dioxopyrrolidin-1-yl (~2~H_5_)propanoateN-Propionyloxy-d5-succinimide2,5-Pyrrolidinedione, 1-(1-oxopropoxy-2,2,3,3,3-d5)- (9CI)
Database identifiers
- CAS
454452-14-3- PubChem CID
- 60005114
- DTXSID
DTXSID70733454- EC Number
- 693-619-6
- Nikkaji
- J1.797.422J
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 63.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 220
Physicochemical properties
- form
- solid
- InChI
- 1S/C7H9NO4/c1-2-7(11)12-8-5(9)3-4-6(8)10/h2-4H2,1H3/i1D3,2D2
- InChIKey
- AASBXERNXVFUEJ-ZBJDZAJPSA-N
- SMILES
- [2H]C([2H])([2H])C([2H])([2H])C(=O)ON1C(=O)CCC1=O
- UNSPSC Code
- 12352005 · 12352005
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H317
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Faceshields, Gloves
- WGK Germany
- 3 · WGK 3
- Storage Class
- 11 · 11 - Combustible Solids
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
Warning
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P264+P265, P272, P280, P302+P352, P305+P351+P338, P321, P333+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Sens. 1 (100%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Faceshields, Gloves
- wgk
- WGK 3
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H319-H317
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
Chemistry & industry
Suppliers1 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…