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6-dodecanoyl-2-(N-methyl-N-(carboxymethyl)amino)naphthalene

CAS: 959839-06-6
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959839-06-6

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1 6-dodecanoyl-2-(N-methyl-N-(carboxymethyl)amino)naphthalene
2 6-dodecanoyl-2-[n-methyl-n-(carboxymethyl)amino]naphthalene
3 6-DNCA-N cpd
4 RefChem:913917
5 C-Laurdan

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Molecular Formula C25H35NO3
Canonical SMILES
Isomeric SMILES
Molecular Weight 397.5000
InChIKey INSWREUMXDGFSD-UHFFFAOYSA-N
InChI InChI=1S/C25H35NO3/c1-3-4-5-6-7-8-9-10-11-12-24(27)22-14-13-21-18-23(16-15-20(21)17-22)26(2)19-25(28)29/h13-18H,3-12,19H2,1-2H3,(H,28,29)
XLogP 7.7000
ExactMass 397.2617
MonoisotopicMass 397.2617
TPSA 57.6000
Complexity 492.0000
Charge 0.0000
HBondDonorCount 1
HBondAcceptorCount 4
RotatableBondCount 14
HeavyAtomCount 29
IsotopeAtomCount 0
AtomStereoCount 0
DefinedAtomStereoCount 0
UndefinedAtomStereoCount 0
BondStereoCount 0
DefinedBondStereoCount 0
UndefinedBondStereoCount 0
CovalentUnitCount 1
PatentCount 9
PatentFamilyCount 3
LiteratureCount 9