5'-(Dimethylamino)-2'-hydroxychalcone hydrochloride
Basic information
- CAS
94094-56-1- Standard SMILES
CN(C)c1ccc(O)c(C(=O)/C=C/c2ccccc2)c1.Cl- InChIKey
BZLMAJBVRRXFGP-VRTOBVRTSA-N- Molecular formula
- C17H18ClNO2
- Average molar mass
- 303.8 g/mol
- Monoisotopic mass
- 303.1026065
Names & identifiers
- Preferred name
- 5'-(Dimethylamino)-2'-hydroxychalcone hydrochloride
- IUPAC
- (E)-1-[5-(dimethylamino)-2-hydroxyphenyl]-3-phenylprop-2-en-1-one;hydrochloride
Names & synonyms
5'-(Dimethylamino)-2'-hydroxychalcone hydrochloride94094-56-1EINECS 302-158-95'-(Dimethylamino)-2'-hydroxychalcone HClDTXSID50240515RefChem:100748DTXCID80163006302-158-9958REG2WEJNS000638152-Propen-1-one, 1-[5-(dimethylamino)-2-hydroxyphenyl]-3-phenyl-, hydrochloride(2E)-1-[5-(Dimethylamino)-2-hydroxyphenyl]-3-phenylprop-2-en-1-one--hydrogen chloride (1/1)
Database identifiers
- CAS
94094-56-1- PubChem CID
- 5744239
- DTXSID
DTXSID50240515- UNII
- 958REG2WEJ
- EC Number
- 302-158-9
Properties
Computed structural properties
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 345
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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