Basic information
- CAS
10085-77-5- Standard SMILES
CC1CC(=O)C(I)C(=O)N1CC(=O)O.OCCNCCO- InChIKey
GFNQLXBEHZHWJW-UHFFFAOYSA-N- Molecular formula
- C12H21IN2O6
- Average molar mass
- 416.21 g/mol
- Monoisotopic mass
- 416.04443
Names & identifiers
- Preferred name
- (3-Iodo-6-methyl-2,4-dioxopiperidin-1-yl)acetic acid--2,2'-azanediyldi(ethan-1-ol) (1/1)
- IUPAC
- 2-(2-hydroxyethylamino)ethanol;2-(3-iodo-6-methyl-2,4-dioxopiperidin-1-yl)acetic acid
Names & synonyms
(3-Iodo-6-methyl-2,4-dioxopiperidin-1-yl)acetic acid--2,2'-azanediyldi(ethan-1-ol) (1/1)DTXSID40905808
Database identifiers
- CAS
10085-77-5- PubChem CID
- 24910
- DTXSID
DTXSID40905808
Properties
Computed structural properties
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 320
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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