KEGG   COMPOUND: C16446Help
Entry
C16446                      Compound                               

Name
Chlornaphazine;
N,N-Bis(2-chloroethyl)-2-naphthylamine
Formula
C14H15Cl2N
Exact mass
267.0582
Mol weight
268.1816
Structure
Mol fileKCF fileDB search
Brite
Carcinogens [BR:br08008]
 Group 1: Carcinogenic to humans
  Compounds
   C16446  Chlornaphazine
BRITE hierarchy
Other DBs
CAS: 494-03-1
PubChem: 47205742
ChEBI: 80497
ChEMBL: CHEMBL2107519
NIKKAJI: J1.558J
LinkDB All DBs
KCF data Show

ATOM        17
            1   C8x C    13.7900  -18.6200
            2   C8x C    13.7900  -20.0200
            3   C8x C    15.0024  -20.7200
            4   C8y C    16.2149  -20.0200
            5   C8y C    16.2149  -18.6200
            6   C8x C    15.0024  -17.9200
            7   C8x C    17.4273  -20.7200
            8   C8x C    18.6397  -20.0200
            9   C8y C    18.6397  -18.6200
            10  C8x C    17.4273  -17.9200
            11  N1c N    19.8373  -17.9285
            12  C1b C    21.0256  -18.6145
            13  C1b C    19.8374  -16.5203
            14  C1b C    21.0293  -15.8320
            15  X   Cl   22.2146  -16.5163
            16  C1b C    22.2164  -17.9269
            17  X   Cl   23.4060  -18.6137
BOND        18
            1     1   2 1
            2     2   3 2
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 2
            7     4   7 2
            8     7   8 1
            9     8   9 2
            10    9  10 1
            11    5  10 2
            12    9  11 1
            13   11  12 1
            14   11  13 1
            15   13  14 1
            16   14  15 1
            17   12  16 1
            18   16  17 1

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