M+B 5124
Basic information
- CAS
15382-90-8- Standard SMILES
COc1cc(N)ccc1OCCCCCCC(OC(C)=O)c1ccccc1- InChIKey
UUNNKIVLCFMKSR-UHFFFAOYSA-N- Molecular formula
- C22H29NO4
- Average molar mass
- 371.5 g/mol
- Monoisotopic mass
- 371.20965841
Names & identifiers
- Preferred name
- M+B 5124
- IUPAC
- [7-(4-amino-2-methoxyphenoxy)-1-phenylheptyl] acetate
Names & synonyms
15382-90-8M+B 5124RefChem:10886671-HEPTANOL, 7-(4-AMINO-2-METHOXYPHENOXY)-1-PHENYL-, ACETATE (ester)[7-(4-amino-2-methoxyphenoxy)-1-phenylheptyl] acetateM&B 5124M & B 5124BRN 28226537-(4-Amino-2-methoxyphenoxy)-1-phenyl-1-heptanol acetate (ester)orb1696203DTXSID30934849AKOS040752888
Show more names
HY-131508CS-0136109T331337-(4-amino-2-methoxyphenoxy)-1-phenylheptyl acetate
Database identifiers
- CAS
15382-90-8- PubChem CID
- 27242
- DTXSID
DTXSID30934849
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 70.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 12
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 411
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Related reactions
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Compound notes
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