Agn-PC-0oouid
Basic information
- CAS
49582-44-7- Standard SMILES
COC(=O)C=C(N(C)C)N1CC1- InChIKey
CWQULHAHKLDSHC-UHFFFAOYSA-N- Molecular formula
- C8H14N2O2
- Average molar mass
- 170.21 g/mol
- Monoisotopic mass
- 170.10552769
Names & identifiers
- Preferred name
- Agn-PC-0oouid
- IUPAC
- methyl 3-(aziridin-1-yl)-3-(dimethylamino)prop-2-enoate
- English name
- 3-(1-Aziridinyl)-3-(dimethylamino)propenoic acid methyl ester
- Molecular formula
- C8H14N2O2
- Molecular weight
- 170.21
Names & synonyms
AGN-PC-0OOUID49582-44-7DTXSID20340839methyl 3-(aziridin-1-yl)-3-(dimethylamino)prop-2-enoate3-(1-Aziridinyl)-3-(dimethylamino)propenoic acid methyl ester2-Propenoic acid, 3-(1-aziridinyl)-3-(dimethylamino)-, methyl ester
Database identifiers
- CAS
49582-44-7- PubChem CID
- 567935
- DTXSID
DTXSID20340839
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 32.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 207
Physicochemical properties
- Boiling point
- 253.6 · 253.6±40.0 °C(Predicted)
- Density
- 1.145 · 1.145±0.06 g/cm3(Predicted)
- pka
- 5.26 · 5.26±0.70(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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