Mrv1572004221604202D          

  6  4  0  0  0  0            999 V2000
   -1.3200   -0.5716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1550    0.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4950   -0.5716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7425    0.1429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0825    0.1429    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1586    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  5  4  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM017912

> <DATABASE_NAME>
chemdb

> <SMILES>
Cl.CCNCC

> <INCHI_IDENTIFIER>
InChI=1S/C4H11N.ClH/c1-3-5-4-2;/h5H,3-4H2,1-2H3;1H

> <INCHI_KEY>
HDITUCONWLWUJR-UHFFFAOYSA-N

> <FORMULA>
C4H12ClN

> <MOLECULAR_WEIGHT>
109.6

> <EXACT_MASS>
109.0658271

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
18

> <JCHEM_AVERAGE_POLARIZABILITY>
9.720858129516577

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
diethylamine hydrochloride

> <ALOGPS_LOGP>
0.76

> <JCHEM_LOGP>
0.5207374376666667

> <ALOGPS_LOGS>
0.54

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_BASIC>
10.581739743143222

> <JCHEM_POLAR_SURFACE_AREA>
12.03

> <JCHEM_REFRACTIVITY>
24.1906

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.57e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
diethylamine hydrochloride

> <JCHEM_VEBER_RULE>
1

> <NAME>
Diethylamine hydrochloride

> <CAS>
660-68-4

$$$$