1H-Imidazole-1-ethanamine, N,N-dimethyl-alpha-ethyl-alpha-phenyl-, (-)-, (Z)-2-butenedioate (2:1)
Basic information
- CAS
98836-74-9- Standard SMILES
CCC(Cn1ccnc1)(c1ccccc1)N(C)C.CCC(Cn1ccnc1)(c1ccccc1)N(C)C.O=C(O)/C=C\C(=O)O- InChIKey
POZHNGDQBZRGLK-KSBRXOFISA-N- Molecular formula
- C34H46N6O4
- Average molar mass
- 602.8 g/mol
- Monoisotopic mass
- 602.35805397
Names & identifiers
- Preferred name
- 1H-Imidazole-1-ethanamine, N,N-dimethyl-alpha-ethyl-alpha-phenyl-, (-)-, (Z)-2-butenedioate (2:1)
- IUPAC
- (Z)-but-2-enedioic acid;bis(1-imidazol-1-yl-N,N-dimethyl-2-phenylbutan-2-amine)
Names & synonyms
1H-Imidazole-1-ethanamine, N,N-dimethyl-alpha-ethyl-alpha-phenyl-, (-)-, (Z)-2-butenedioate (2:1)98836-74-9RefChem:1057972JO 1274
Database identifiers
- CAS
98836-74-9- PubChem CID
- 6447720
Properties
Computed structural properties
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 12
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 367
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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