Dimethyl 5-(2-aminoethyl)isophthalate hydrochloride
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Basic information
- Standard SMILES
COC(=O)c1cc(CCN)cc(C(=O)OC)c1.Cl- InChIKey
YIBPOFWNTGROLK-UHFFFAOYSA-N- Molecular formula
- C12H16ClNO4
- Average molar mass
- 273.71 g/mol
Names & identifiers
- Preferred name
- Dimethyl 5-(2-aminoethyl)isophthalate hydrochloride
- IUPAC
- dimethyl 5-(2-aminoethyl)benzene-1,3-dicarboxylate;hydrochloride
Names & synonyms
SCHEMBL3006261YIBPOFWNTGROLK-UHFFFAOYSA-Ndimethyl 5-(2-aminoethyl)isophthalate hydrochloride
Database identifiers
- PubChem CID
- 68475005
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 78.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 256
Related reactions
1 records
Compound notes
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