Pentylamine, N,N-diethyl-4-(alpha-(alpha,alpha,alpha-trifluoro-o-tolyl)benzyloxy)-, citrate

HCID 201090

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Basic information

CAS: 3218-37-9
Standard SMILES: CCN(CC)CCCC(C)OC(c1ccccc1)c1ccccc1C(F)(F)F.O=C(O)CC(O)(CC(=O)O)C(=O)O
InChIKey: RAAJXWASYMJQFQ-UHFFFAOYSA-N
Molecular formula: C29H38F3NO8
Average molar mass: 585.6 g/mol
Monoisotopic mass: 585.25495166

Names & identifiers

Preferred name: Pentylamine, N,N-diethyl-4-(alpha-(alpha,alpha,alpha-trifluoro-o-tolyl)benzyloxy)-, citrate
IUPAC: N,N-diethyl-4-[phenyl-[2-(trifluoromethyl)phenyl]methoxy]pentan-1-amine;2-hydroxypropane-1,2,3-tricarboxylic acid

Names & synonyms

N,N-Diethyl-4-(alpha-(alpha,alpha,alpha-trifluoro-o-tolyl)benzyloxy)pentylamine citrate3218-37-9Pentylamine, N,N-diethyl-4-(alpha-(alpha,alpha,alpha-trifluoro-o-tolyl)benzyloxy)-, citrateRefChem:368293DTXSID509540442-Hydroxypropane-1,2,3-tricarboxylic acid--N,N-diethyl-4-{phenyl[2-(trifluoromethyl)phenyl]methoxy}pentan-1-amine (1/1)

Database identifiers

CAS: 3218-37-9
PubChem CID: 201090
DTXSID: DTXSID50954044

Properties

Computed structural properties

Topological polar surface area: 145 Å²
Hydrogen bond donors: 4
Hydrogen bond acceptors: 12
Rotatable bonds: 15
Heavy atoms: 41
Formal charge: 0
Complexity: 646

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