Basic information
- CAS
51352-88-6- Standard SMILES
COC(=O)c1cccc(CCN(C)Cc2ccccc2)c1- InChIKey
IGJQEMHBYKNIQR-UHFFFAOYSA-N- Molecular formula
- C18H21NO2
- Average molar mass
- 283.4 g/mol
- Monoisotopic mass
- 283.15722891
Names & identifiers
- Preferred name
- Methyl 3-(2-(methyl(phenylmethyl)amino)ethyl)benzoate
- IUPAC
- methyl 3-[2-[benzyl(methyl)amino]ethyl]benzoate
- English name
- PRL-8-53
- Molecular formula
- C18H21NO2
- Molecular weight
- 283.36
Names & synonyms
51352-88-6DTXSID701045345Methyl 3-(2-(methyl(phenylmethyl)amino)ethyl)benzoateMethyl 3-[2-[methyl(phenylmethyl)amino]ethyl]benzoateRefChem:1089377DTXCID301527280methyl 3-[2-[benzyl(methyl)amino]ethyl]benzoatePRL-8-53 free baseBM2TE2XHK6Methyl 3-(2-(benzyl(methyl)amino)ethyl)benzoatem-(2-(Benzylmethylamino)ethyl)benzoic acid methyl esterBenzoic acid, 3-(2-(methyl(phenylmethyl)amino)ethyl)-, methyl ester
Show more names
PRL-8-53(Nootropics)IGJQEMHBYKNIQR-UHFFFAOYSA-N2-(benzylmethylamino)ethyl>m-benzoicacidmethylesterBenzoic acid, 3-[2-[methyl(phenylmethyl)amino]ethyl]-, methyl ester
UNII-BM2TE2XHK6orb507424BCA35288PRL-8-53?3-(2-benzylmethylaminoethyl)benzoic acid methyl ester hydrochloride
Database identifiers
- CAS
51352-88-6- PubChem CID
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 312
Physicochemical properties
- Boiling point
- 398.9 · 398.9±35.0 °C(Predicted)
- Density
- 1.085 · 1.085±0.06 g/cm3(Predicted)
- pka
- 8.31 · 8.31±0.50(Predicted)
- FDA UNII
- 2 TE2XHK6 · BM2TE2XHK6
Chemistry & industry
Suppliers5 total
苏州新瑞生物科技有限公司13401437572 · [email protected]
上海昕凯医药科技有限公司21-619849051-1 18521059765 · [email protected]
Hebei Yaoxiao New Materials Technology Co., Ltd.+86-19543918292 +86-19543918292 · [email protected]
上海瀚香生物科技有限公司17754423994 · [email protected]
陕西缔都医药有限责任公司81148925 17391631969 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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