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Basic information
- CAS
14745-52-9- Standard SMILES
COC(=O)CN1CC1- InChIKey
VWCXRUKYXADUBM-UHFFFAOYSA-N- Molecular formula
- C5H9NO2
- Average molar mass
- 115.13 g/mol
- Monoisotopic mass
- 115.06332853
Names & identifiers
- Preferred name
- 1-Aziridineacetic acid, methyl ester
- IUPAC
- methyl 2-(aziridin-1-yl)acetate
- English name
- 1-Aziridineacetic acid methyl ester
- Molecular formula
- C5H9NO2
- Molecular weight
- 115.13
Names & synonyms
1-(Carbomethoxymethyl)aziridine14745-52-9Methyl 1-aziridineacetate1-(Methoxycarbonyl)aziridineN-(Carbomethoxymethyl)aziridine1-AZIRIDINEACETIC ACID, METHYL ESTERNSC 101284SK 4119BRN 01103042-(1-Aziridinyl)acetic acid methyl esterAcetic acid, 2-(1-aziridinyl)-, methyl esterDTXSID60163721
Show more names
4-20-00-00023 (Beilstein Handbook Reference)RefChem:227720DTXCID0086212methyl 2-(aziridin-1-yl)acetate1-Aziridineacetic acid methyl esterNCIOpen2_001711Methyl (aziridin-1-yl)acetateSCHEMBL1133592
Database identifiers
- CAS
14745-52-9- PubChem CID
- 26865
- DTXSID
DTXSID60163721- Nikkaji
- J84.717H
Properties
Computed structural propertiesFilling in
- XLogP
- 0
- Topological polar surface area
- 29.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 98
Physicochemical properties
- Boiling point
- 74 °C · 74 °C(Press: 24 Torr)
- Density
- 1.13 · 1.130±0.06 g/cm3(Predicted)
- pka
- 5.27 · 5.27±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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