1-Naphthaleneacetic acid, alpha,alpha-bis(3-(dimethylamino)propyl)-, ethyl ester
Basic information
- CAS
14722-16-8- Standard SMILES
CCOC(=O)C(CCCN(C)C)(CCCN(C)C)c1cccc2ccccc12- InChIKey
YRZHWWNFBIVSNR-UHFFFAOYSA-N- Molecular formula
- C24H36N2O2
- Average molar mass
- 384.6 g/mol
- Monoisotopic mass
- 384.2776784
Names & identifiers
- Preferred name
- 1-Naphthaleneacetic acid, alpha,alpha-bis(3-(dimethylamino)propyl)-, ethyl ester
- IUPAC
- ethyl 5-(dimethylamino)-2-[3-(dimethylamino)propyl]-2-naphthalen-1-ylpentanoate
- English name
- α,α-Bis[3-(dimethylamino)propyl]-1-naphthaleneacetic acid ethyl ester
- Molecular formula
- C24H36N2O2
- Molecular weight
- 384.55
Names & synonyms
BRN 277783114722-16-81-NAPHTHALENEACETIC ACID, alpha,alpha-BIS(3-(DIMETHYLAMINO)PROPYL)-, ETHYL ESTERDTXSID40163628alpha,alpha-Bis(3-(dimethylamino)propyl)-1-naphthaleneacetic acid ethyl esteralpha,alpha-Bis[3-(dimethylamino)propyl]-1-naphthaleneacetic acid ethyl esterRefChem:232207DTXCID2086119ethyl 5-(dimethylamino)-2-[3-(dimethylamino)propyl]-2-naphthalen-1-ylpentanoateethyl 5-(dimethylamino)-2-[3-(dimethylamino)propyl]-2-(naphthalen-1-yl)pentanoateα,α-Bis[3-(dimethylamino)propyl]-1-naphthaleneacetic acid ethyl ester1-Naphthaleneacetic acid, α,α-bis[3-(dimethylamino)propyl]-, ethyl ester
Database identifiers
- CAS
14722-16-8- PubChem CID
- 26841
- DTXSID
DTXSID40163628- Nikkaji
- J42.381E
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 32.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 12
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 450
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Compound notes
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