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Dipentylnitrosamine

CAS: 13256-06-9
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13256-06-9

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1 N,N-Diamylnitrosamine
2 Dipentylnitrosamine
3 Diamylnitrosamine
4 1-Pentanamine, N-nitroso-N-pentyl-
5 Dipentylnitrosoamine

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Molecular Formula C10H22N2O
Canonical SMILES CCCCCN(CCCCC)N=O
Isomeric SMILES CCCCCN(CCCCC)N=O
Molecular Weight 186.2900
InChIKey OELWBYBVFOLSTA-UHFFFAOYSA-N
InChI InChI=1S/C10H22N2O/c1-3-5-7-9-12(11-13)10-8-6-4-2/h3-10H2,1-2H3
XLogP 3.7000
ExactMass 186.1732
MonoisotopicMass 186.1732
TPSA 32.7000
Complexity 108.0000
Charge 0.0000
HBondDonorCount 0
HBondAcceptorCount 3
RotatableBondCount 8
HeavyAtomCount 13
IsotopeAtomCount 0
AtomStereoCount 0
DefinedAtomStereoCount 0
UndefinedAtomStereoCount 0
BondStereoCount 0
DefinedBondStereoCount 0
UndefinedBondStereoCount 0
CovalentUnitCount 1
PatentCount 46
PatentFamilyCount 29
LiteratureCount 34