74819
  -OEChem-04262421132D

 13 11  0     0  0  0  0  0  0999 V2000
    1.3360    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    3.6200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    3.1200    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    3.6200    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
    2.6675    4.0950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8705    4.0950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0044    2.6450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8015    2.6450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6720    3.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    2.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3360    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  2  5  1  0  0  0  0
  2 12  1  0  0  0  0
  3  4  1  0  0  0  0
  3 10  1  0  0  0  0
  3 11  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
74819

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
10

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBCIAAEAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAHgAQCAAAAADhgAYAAABAAgAAAAAAAAAAAAAAAAAAAIAAAAACEAAAAAAAAAAAEAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-aminoethanol;hydrochloride

> <PUBCHEM_IUPAC_CAS_NAME>
2-aminoethanol;hydrochloride

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-aminoethanol;hydrochloride

> <PUBCHEM_IUPAC_NAME>
2-aminoethanol;hydrochloride

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-azanylethanol;hydrochloride

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-aminoethanol;hydrochloride

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C2H7NO.ClH/c3-1-2-4;/h4H,1-3H2;1H

> <PUBCHEM_IUPAC_INCHIKEY>
PMUNIMVZCACZBB-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
97.0294416

> <PUBCHEM_MOLECULAR_FORMULA>
C2H8ClNO

> <PUBCHEM_MOLECULAR_WEIGHT>
97.54

> <PUBCHEM_OPENEYE_CAN_SMILES>
C(CO)N.Cl

> <PUBCHEM_OPENEYE_ISO_SMILES>
C(CO)N.Cl

> <PUBCHEM_CACTVS_TPSA>
46.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
97.0294416

> <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

$$$$