Basic information
- CAS
4078-31-3- Standard SMILES
CCCCCCCCCCOC(=O)CCN1CC1- InChIKey
PICLSMCDEFZQTO-UHFFFAOYSA-N- Molecular formula
- C15H29NO2
- Average molar mass
- 255.4 g/mol
- Monoisotopic mass
- 255.21982917
Names & identifiers
- Preferred name
- Propionic acid, 3-(1-aziridinyl)-, decyl ester
- IUPAC
- decyl 3-(aziridin-1-yl)propanoate
- English name
- 3-(1-Aziridinyl)propionic acid decyl ester
- Molecular weight
- 0
Names & synonyms
1-Aziridinepropionic acid, decyl ester3-(1-Aziridinyl)propionic acid decyl ester4078-31-3Propionic acid, 3-(1-aziridinyl)-, decyl esterUI1B3RY9LANSC 101295BRN 1312359N-Decyl beta-(1-aziridinyl) propionateUNII-UI1B3RY9LANSC-101295DTXSID001937695-20-01-00054 (Beilstein Handbook Reference)
Show more names
1-AZIRIDINEPROPANOIC ACID, DECYL ESTERRefChem:176422DTXCID901162601-Aziridinepropionic acid, decyl ester (8CI)MLS002703627N-Decyl .beta.-(1-aziridinyl) propionatedecyl 3-(aziridin-1-yl)propanoateNCIOpen2_006764
Database identifiers
- CAS
4078-31-3- PubChem CID
- 97120
- DTXSID
DTXSID00193769- ChEMBL
CHEMBL3184911- UNII
- UI1B3RY9LA
- Nikkaji
- J51.072F
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 29.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 13
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 215
Physicochemical properties
- FDA UNII
- 1 B3RY9LA · UI1B3RY9LA
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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