Methyl alpha-cyano-4-(dimethylamino)cinnamate
Basic information
- CAS
3785-86-2- Standard SMILES
COC(=O)/C(C#N)=C/c1ccc(N(C)C)cc1- InChIKey
PVTUXLIWSQLDRD-DHZHZOJOSA-N- Molecular formula
- C13H14N2O2
- Average molar mass
- 230.26 g/mol
- Monoisotopic mass
- 230.10552769
Names & identifiers
- Preferred name
- Methyl alpha-cyano-4-(dimethylamino)cinnamate
- IUPAC
- methyl (E)-2-cyano-3-[4-(dimethylamino)phenyl]prop-2-enoate
Names & synonyms
NSC265539Methyl alpha-cyano-4-(dimethylamino)cinnamate3785-86-2NIOSH/GD8563000SCHEMBL21457489PVTUXLIWSQLDRD-DHZHZOJOSA-NAKOS000957428NSC-265539ST4030490GD85630000F 23804-Dimethylamino-benzal-cyanessigsaeure-methyl ester
Show more names
AG-205/32397006SR-01000102391methyl 2-cyano-3-[4-(dimethylamino)phenyl]acrylateSR-01000102391-14-Dimethylamino-benzal-cyanessigsaeure-methyl ester [German]Cinnamic acid, alpha-cyano-4-(dimethylamino)-, methyl estermethyl (2E)-3-[4-(dimethylamino)phenyl]-2-cyanoprop-2-enoateMethyl (2E)-2-cyano-3-[4-(dimethylamino)phenyl]-2-propenoate #
Database identifiers
- CAS
3785-86-2- PubChem CID
- 692071
- Nikkaji
- J2.235.124I
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 53.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 344
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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