1-Aziridinepropanoic acid, alpha-methyl-, 1,1'-(2-((3-(1-aziridinyl)-2-methyl-1-oxopropoxy)methyl)-2-ethyl-1,3-propanediyl) ester
Basic information
- CAS
63870-28-0- Standard SMILES
CCC(COC(=O)[C@H](C)CN1CC1)(COC(=O)[C@H](C)CN1CC1)COC(=O)[C@H](C)CN1CC1- InChIKey
AQYCJIBMNCSKNS-VAMGGRTRSA-N- Molecular formula
- C24H41N3O6
- Average molar mass
- 467.6 g/mol
- Monoisotopic mass
- 467.29953604
Names & identifiers
- Preferred name
- 1-Aziridinepropanoic acid, alpha-methyl-, 1,1'-(2-((3-(1-aziridinyl)-2-methyl-1-oxopropoxy)methyl)-2-ethyl-1,3-propanediyl) ester
- IUPAC
- 2,2-bis[[(2R)-3-(aziridin-1-yl)-2-methylpropanoyl]oxymethyl]butyl (2R)-3-(aziridin-1-yl)-2-methylpropanoate
Names & synonyms
Trimethylolpropane tris(3-aziridinyl-2-methylpropanoate)Trimethylolpropane tris(3-(1-aziridinyl)-2-methylpropionate)1-Aziridinepropanoic acid, alpha-methyl-, 1,1'-(2-((3-(1-aziridinyl)-2-methyl-1-oxopropoxy)methyl)-2-ethyl-1,3-propanediyl) ester1-Aziridinepropanoic acid, alpha-methyl-, 2-((3-(1-aziridinyl)-2-methyl-1-oxopropoxy)methyl)-2-ethyl-1,3-propanediyl esterRefChem:4295971-Aziridinepropanoic acid, .alpha.-methyl-, 1,1'-[2-[[3-(1-aziridinyl)-2-methyl-1-oxopropoxy]methyl]-2-ethyl-1,3-propanediyl] ester2-(((3-(Aziridin-1-yl)-2-methylpropanoyl)oxy)methyl)-2-ethylpropane-1,3-diyl bis(3-(aziridin-1-yl)-2-methylpropanoate)
Database identifiers
- CAS
63870-28-0- PubChem CID
- 3085276
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 87.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 19
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 601
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1-Aziridinepropanoic acid, .alpha.-methyl-, 1,1'-[2-[[3-(1-aziridinyl)-2-methyl-1-oxopropoxy]methyl]-2-ethyl-1,3-propanediyl] ester: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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