10313079
 OpenBabel05082101102D

 15 13  0  0  0  0  0  0  0  0999 V2000
    0.9030    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    4.1200    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    4.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    4.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    3.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5790    4.0831    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8059    4.9300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9590    5.1569    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8469    5.1569    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2269    4.0831    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7830    3.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    2.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0230    3.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9030    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  4 11  1  0  0  0  0
  5 12  1  0  0  0  0
  5 13  1  0  0  0  0
  5 14  1  0  0  0  0
M  END
>  <PUBCHEM_COMPOUND_CID>
10313079

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
8

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

>  <PUBCHEM_CACTVS_HBOND_DONOR>
1

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBCAAAEAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAFAAAAAAAAAAAAAQCAAMAAAAAAAAAAAAAAAAAAAAAAAAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
N,N-dimethylmethanamine;hydrochloride

>  <PUBCHEM_IUPAC_CAS_NAME>
N,N-dimethylmethanamine;hydrochloride

>  <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>,<I>N</I>-dimethylmethanamine;hydrochloride

>  <PUBCHEM_IUPAC_NAME>
N,N-dimethylmethanamine;hydrochloride

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N,N-dimethylmethanamine;hydrochloride

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
trimethylamine;hydrochloride

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/C3H9N.ClH/c1-4(2)3;/h1-3H3;1H

>  <PUBCHEM_IUPAC_INCHIKEY>
SZYJELPVAFJOGJ-UHFFFAOYSA-N

>  <PUBCHEM_EXACT_MASS>
95.050177

>  <PUBCHEM_MOLECULAR_FORMULA>
C3H10ClN

>  <PUBCHEM_MOLECULAR_WEIGHT>
95.57

>  <PUBCHEM_OPENEYE_CAN_SMILES>
CN(C)C.Cl

>  <PUBCHEM_OPENEYE_ISO_SMILES>
CN(C)C.Cl

>  <PUBCHEM_CACTVS_TPSA>
3.2

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
95.050177

>  <PUBCHEM_TOTAL_CHARGE>
0

>  <PUBCHEM_HEAVY_ATOM_COUNT>
5

>  <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

>  <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

>  <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

>  <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

>  <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

>  <PUBCHEM_COMPONENT_COUNT>
2

>  <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

>  <PUBCHEM_COORDINATE_TYPE>
1
5
255

$$$$
