700
  -OEChem-04260609172D

 11 10  0     0  0  0  0  0  0999 V2000
    5.1350    0.5600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    0.0600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6719    0.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -0.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8705   -0.4149    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6675   -0.4149    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8015    1.0349    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0044    1.0349    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  5  1  0  0  0  0
  2  4  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  3  4  1  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  4 10  1  0  0  0  0
  4 11  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
1

> <PUBCHEM_COMPOUND_CID>
700

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcYBCIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAHgAQCAAAAADhgAYAAABAAgAAAAAAAAAAAAAAAAAAAIAAAAACEAAAAAAAAAAAEAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-aminoethanol

> <PUBCHEM_IUPAC_CAS_NAME>
2-aminoethanol

> <PUBCHEM_IUPAC_NAME>
2-aminoethanol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-aminoethanol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-aminoethanol

> <PUBCHEM_NIST_INCHI>
InChI=1/C2H7NO/c3-1-2-4/h4H,1-3H2

> <PUBCHEM_CACTVS_XLOGP>
-1.347

> <PUBCHEM_CACTVS_EXACT_MASS>
61.0528

> <PUBCHEM_OPENEYE_MF>
C2H7NO

> <PUBCHEM_OPENEYE_MW>
61.0831

> <PUBCHEM_OPENEYE_CAN_SMILES>
C(CO)N

> <PUBCHEM_OPENEYE_ISO_SMILES>
C(CO)N

> <PUBCHEM_CACTVS_TPSA>
46.25

> <PUBCHEM_OPENEYE_MONOISOTOPICWT>
61.0528

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
4

> <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>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
1

> <PUBCHEM_SUBSTANCE_ID>
151996

> <PUBCHEM_SUBSTANCE_VERSION>
2

> <PUBCHEM_EXT_DATASOURCE_NAME>
ChemIDplus

> <PUBCHEM_EXT_DATASOURCE_REGID>
000141435

> <PUBCHEM_SUBSTANCE_SYNONYM>
1-Amino-2-hydroxyethane
141-43-5
2-AMINOETHANOL
2-Amino-1-ethanol
2-Aminoaethanol [German]
2-Aminoetanolo [Italian]
2-Hydroxyethanamine
2-Hydroxyethylamine
9007-33-4
AI3-24219
Aethanolamin [German]
Aminoethanol
CCRIS 6260
Caswell No. 426
Colamine
EINECS 205-483-3
EPA Pesticide Chemical Code 011601
Etanolamina [Italian]
Ethanol, 2-amino-
Ethanolamine
Ethanolamine or ethanolamine solutions [UN2491]  [Corrosive]
Ethylolamine
Glycinol
Glycinol (monoethanolamine)
HSDB 531
Kolamin [Czech]
MEA (alcohol)
Monoaethanolamin [German]
Monoethanolamine
Olamine
Thiofaco M-50
UN2491
USAF EK-1597
beta-Aminoethyl alcohol
beta-Hydroxyethylamine

> <PUBCHEM_GENERIC_REGISTRY_NAME>
141-43-5
9007-33-4

> <PUBCHEM_XREF_EXT_ID>
000141435

> <PUBCHEM_EXT_DATASOURCE_URL>
http://chem.sis.nlm.nih.gov/chemidplus/

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://chem.sis.nlm.nih.gov/chemidplus/direct.jsp?result=advanced&regno=000141435

> <PUBCHEM_CID_ASSOCIATIONS>
700  1

$$$$