Mrv1572004191603132D          

 10  8  0  0  0  0            999 V2000
   -2.0625    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0625   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2375    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.4196    0.0000    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
  5  1  2  0  0  0  0
  6  2  2  0  0  0  0
  7  5  1  0  0  0  0
  8  6  1  0  0  0  0
  9  3  1  0  0  0  0
  9  4  1  0  0  0  0
  9  7  1  0  0  0  0
  9  8  1  0  0  0  0
M  CHG  2   9   1  10  -1
M  END
> <DATABASE_ID>
CHEM011342

> <DATABASE_NAME>
chemdb

> <SMILES>
[Cl-].C[N+](C)(CC=C)CC=C

> <INCHI_IDENTIFIER>
InChI=1S/C8H16N.ClH/c1-5-7-9(3,4)8-6-2;/h5-6H,1-2,7-8H2,3-4H3;1H/q+1;/p-1

> <INCHI_KEY>
GQOKIYDTHHZSCJ-UHFFFAOYSA-M

> <FORMULA>
C8H16ClN

> <MOLECULAR_WEIGHT>
161.67

> <EXACT_MASS>
161.0971272

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
26

> <JCHEM_AVERAGE_POLARIZABILITY>
15.717554680570704

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
dimethylbis(prop-2-en-1-yl)azanium chloride

> <ALOGPS_LOGP>
-2.71

> <JCHEM_LOGP>
-2.509667504138412

> <ALOGPS_LOGS>
-4.41

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
54.22710000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
6.30e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
dimethylbis(prop-2-en-1-yl)azanium chloride

> <JCHEM_VEBER_RULE>
1

> <NAME>
2-Propen-1-aminium, N,N-dimethyl-N-2-propenyl-, chloride, homopolymer

> <CAS>
26062-79-3

> <SYNONYMS>
Diallyldimethylammonium chloride; dimethylbis(prop-2-en-1-yl)azanium chloride; Dimethyldiallylammonium chloride

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