1-Aziridinepropionic acid, 2-(dimethylamino)ethyl ester

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Basic information

CAS: 22480-26-8
Standard SMILES: CN(C)CCOC(=O)CCN1CC1
InChIKey: WKNXZJRXLOXUOB-UHFFFAOYSA-N
Molecular formula: C9H18N2O2
Average molar mass: 186.25 g/mol
Monoisotopic mass: 186.13682782

Names & identifiers

Preferred name: 1-Aziridinepropionic acid, 2-(dimethylamino)ethyl ester
IUPAC: 2-(dimethylamino)ethyl 3-(aziridin-1-yl)propanoate

Names & synonyms

1-AZIRIDINEPROPIONIC ACID, 2-(DIMETHYLAMINO)ETHYL ESTER22480-26-8Q1KT4R5DR8NSC 1013021-Aziridinepropanoic acid, 2-(dimethylamino)ethyl esterUNII-Q1KT4R5DR8NSC-101302DTXSID80177007RefChem:74941DTXCID50994982-(dimethylamino)ethyl 3-(aziridin-1-yl)propanoateNCIOpen2_001749

Show more names

NSC101302

Database identifiers

CAS: 22480-26-8
PubChem CID: 31183
DTXSID: DTXSID80177007
UNII: Q1KT4R5DR8
Nikkaji: J84.750J

Properties

Computed structural properties

XLogP: -0.1
Topological polar surface area: 32.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 7
Heavy atoms: 13
Formal charge: 0
Complexity: 167

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Compound notes

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