1-Aziridinepropionic acid, 2,2-dimethylpropyl ester
Basic information
- CAS
99900-98-8- Standard SMILES
CC(C)(C)COC(=O)CCN1CC1- InChIKey
CJRVGTHPLJTBNE-UHFFFAOYSA-N- Molecular formula
- C10H19NO2
- Average molar mass
- 185.26 g/mol
- Monoisotopic mass
- 185.14157885
Names & identifiers
- Preferred name
- 1-Aziridinepropionic acid, 2,2-dimethylpropyl ester
- IUPAC
- 2,2-dimethylpropyl 3-(aziridin-1-yl)propanoate
- English name
- 1-Aziridinepropionic acid neopentyl ester
- Molecular formula
- C10H19NO2
- Molecular weight
- 0
Names & synonyms
1-AZIRIDINEPROPIONIC ACID, 2,2-DIMETHYLPROPYL ESTER99900-98-81-Aziridinepropanoic acid, 2,2-dimethylpropyl esterPropionic acid, 3-(1-aziridinyl)-, neopentyl esterDTXSID60244302RefChem:227742DTXCID201667932,2-dimethylpropyl 3-(aziridin-1-yl)propanoateNSC160050NSC-1600501-Aziridinepropionic acid neopentyl ester1-Aziridinepropionic acid 2,2-dimethylpropyl ester
Database identifiers
- CAS
99900-98-8- PubChem CID
- 57566
- DTXSID
DTXSID60244302- Nikkaji
- J84.751H
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 29.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 180
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Related reactions
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Compound notes
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