2-(Diethylamino)ethyl 1,2,3,4-tetrahydronaphthalene-1-carboxylate--hydrogen chloride (1/1)
Basic information
- CAS
63979-18-0- Standard SMILES
CC[NH+](CC)CCOC(=O)C1CCCc2ccccc21.[Cl-]- InChIKey
WSYXBHSXXTWQIB-UHFFFAOYSA-N- Molecular formula
- C17H26ClNO2
- Average molar mass
- 311.8 g/mol
- Monoisotopic mass
- 311.1652068
Names & identifiers
- Preferred name
- 2-(Diethylamino)ethyl 1,2,3,4-tetrahydronaphthalene-1-carboxylate--hydrogen chloride (1/1)
- IUPAC
- diethyl-[2-(1,2,3,4-tetrahydronaphthalene-1-carbonyloxy)ethyl]azanium chloride
Names & synonyms
63979-18-0DTXSID409815262-(Diethylamino)ethyl 1,2,3,4-tetrahydronaphthalene-1-carboxylate--hydrogen chloride (1/1)RefChem:1061626DTXCID2014087961-Naphthoic acid, 1,2,3,4-tetrahydro-, 2-(diethylamino)ethyl ester, hydrochloride1,2,3,4-Tetrahydro-1-naphthoic acid 2-(diethylamino)ethyl ester hydrochloride2-(Diethylamino)ethyl ester of 1,2,3,4-tetrahydro-1-naphthoic acid hydrochloride
Database identifiers
- CAS
63979-18-0- PubChem CID
- 45912
Properties
Computed structural properties
- Topological polar surface area
- 30.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 301
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Compound notes
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