Heptanoic acid, 2-(dimethylamino)ethyl ester, (Z)-2-butenedioate (1:1)
Basic information
- CAS
129320-06-5- Standard SMILES
CCCCCCC(=O)OCCN(C)C.O=C(O)/C=C/C(=O)O- InChIKey
OLZCKDDLACXUKE-WLHGVMLRSA-N- Molecular formula
- C15H27NO6
- Average molar mass
- 317.38 g/mol
- Monoisotopic mass
- 317.18383758
Names & identifiers
- Preferred name
- Heptanoic acid, 2-(dimethylamino)ethyl ester, (Z)-2-butenedioate (1:1)
- IUPAC
- (E)-but-2-enedioic acid;2-(dimethylamino)ethyl heptanoate
Names & synonyms
Heptanoic acid, 2-(dimethylamino)ethyl ester, (Z)-2-butenedioate (1:1)129320-06-5RefChem:10864422-(Dimethylamino)ethyl heptanoate (Z)-2-butenedioate (1:1)
Database identifiers
- CAS
129320-06-5- PubChem CID
- 6449142
Properties
Computed structural properties
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 11
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 265
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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