Chlornaphazine
  • CAS Number 494-03-1
  • Catalog Number io-1956
  • Classification Amines
  • Molecular Weight 268.2000
  • SMILES C1=CC=C2C=C(C=CC2=C1)N(CCCl)CCCl
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N,N-Bis(2-chloroethyl)-2-naphthylamine (Chlornapazine) can cause cancer according to California Labor Code.

1 Chlornaphazine
2 Chloronaphthina
3 Chloronaphthine
4 Cloronaftina
5 Chlornaftina
Molecular Formula C14H15Cl2N
Canonical SMILES C1=CC=C2C=C(C=CC2=C1)N(CCCl)CCCl
Isomeric SMILES C1=CC=C2C=C(C=CC2=C1)N(CCCl)CCCl
Molecular Weight 268.2000
InChIKey XCDXSSFOJZZGQC-UHFFFAOYSA-N
InChI InChI=1S/C14H15Cl2N/c15-7-9-17(10-8-16)14-6-5-12-3-1-2-4-13(12)11-14/h1-6,11H,7-10H2
XLogP 4.5000
ExactMass 267.0582
MonoisotopicMass 267.0582
TPSA 3.2000
Complexity 216.0000
Charge 0.0000
HBondDonorCount 0
HBondAcceptorCount 1
RotatableBondCount 5
HeavyAtomCount 17
IsotopeAtomCount 0
AtomStereoCount 0
DefinedAtomStereoCount 0
UndefinedAtomStereoCount 0
BondStereoCount 0
DefinedBondStereoCount 0
UndefinedBondStereoCount 0
CovalentUnitCount 1
PatentCount 17394
PatentFamilyCount 3663
LiteratureCount 153