Basic information
- CAS
21805-71-0- Standard SMILES
CC(C)(CC(=O)CC(C)(C)N1CC1)N1CC1- InChIKey
XGGXNXNLEMNHFG-UHFFFAOYSA-N- Molecular formula
- C13H24N2O
- Average molar mass
- 224.34 g/mol
- Monoisotopic mass
- 224.18886339
Names & identifiers
- Preferred name
- 2,6-Bis(1-aziridinyl)-2,6-dimethyl-4-heptanone
- IUPAC
- 2,6-bis(aziridin-1-yl)-2,6-dimethylheptan-4-one
Names & synonyms
2,6-Bis(1-aziridinyl)-2,6-dimethyl-4-heptanone21805-71-02,6-bis(aziridin-1-yl)-2,6-dimethylheptan-4-one48R8BYS3HWNIOSH/MJ5600500NSC-101310MJ56005000beta,beta'-Bis-ethyleneimino-diisobutyl ketone2,6-Bis(1-aziridinyl)-2,6-dimethyl-3-heptanone3-Heptanone, 2,6-bis(1-aziridinyl)-2,6-dimethyl-4-Heptanone, 2,6-bis(1-aziridinyl)-2,6-dimethyl-NSC101310
Show more names
UNII-48R8BYS3HWNCIOpen2_006884DTXSID90176223AKOS030240074NSC 1013103-Heptanone,6-bis(1-aziridinyl)-2,6-dimethyl-2,6-bis(aziridin-1-yl)-2,6-dimethyl-heptan-4-one3-Heptanone, 2,6-bis(1-aziridinyl)-2,6-dimethyl- (8CI)
Database identifiers
- CAS
21805-71-0- PubChem CID
- 97121
- DTXSID
DTXSID90176223- UNII
- 48R8BYS3HW
- Nikkaji
- J58.122D
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 23.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 260
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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