
 3-Aminopropyl(hexyl)phosphinic acid

 35 34  0  0  0  0  0  0  0  0999 V2000
    1.8985   -1.2482   -0.6904 C   0  0  0  0  0
    3.3142   -0.8587   -0.2969 C   0  0  0  0  0
    3.5469    0.6443   -0.4492 C   0  0  0  0  0
    4.9779    1.0241   -0.0652 C   0  0  0  0  0
    5.2108    2.5294   -0.1889 C   0  0  0  0  0
    6.6487    2.9023    0.1546 C   0  0  0  0  0
    6.9754    4.6583    0.0596 P   0  0  0  0  0
    6.6246    5.2883   -1.2507 O   0  0  0  0  0
    6.2702    5.4267    1.5089 C   0  0  0  0  0
    6.5508    6.9228    1.5993 C   0  0  0  0  0
    5.9779    7.5192    2.8808 C   0  0  0  0  0
    6.2278    8.9536    2.9288 N   0  0  0  0  0
    8.5662    4.7466    0.3180 O   0  0  0  0  0
    1.7539   -2.3263   -0.5668 H   0  0  0  0  0
    1.6988   -0.9967   -1.7371 H   0  0  0  0  0
    1.1613   -0.7330   -0.0660 H   0  0  0  0  0
    4.0253   -1.4114   -0.9219 H   0  0  0  0  0
    3.4937   -1.1592    0.7418 H   0  0  0  0  0
    2.8374    1.1922    0.1831 H   0  0  0  0  0
    3.3535    0.9439   -1.4865 H   0  0  0  0  0
    5.6840    0.4880   -0.7109 H   0  0  0  0  0
    5.1784    0.7073    0.9656 H   0  0  0  0  0
    4.5245    3.0685    0.4738 H   0  0  0  0  0
    4.9865    2.8613   -1.2097 H   0  0  0  0  0
    7.3284    2.3915   -0.5368 H   0  0  0  0  0
    6.8951    2.5525    1.1634 H   0  0  0  0  0
    6.6617    4.9203    2.3981 H   0  0  0  0  0
    5.1872    5.2610    1.4983 H   0  0  0  0  0
    6.1207    7.4216    0.7220 H   0  0  0  0  0
    7.6335    7.0916    1.5556 H   0  0  0  0  0
    6.4332    7.0425    3.7559 H   0  0  0  0  0
    4.8980    7.3440    2.9300 H   0  0  0  0  0
    7.2304    9.1331    2.8849 H   0  0  0  0  0
    5.9070    9.3276    3.8208 H   0  0  0  0  0
    9.0854    4.6228   -0.5024 H   0  0  0  0  0
  1  2  1  0  0  0
  1 14  1  0  0  0
  1 15  1  0  0  0
  1 16  1  0  0  0
  2  3  1  0  0  0
  2 17  1  0  0  0
  2 18  1  0  0  0
  3  4  1  0  0  0
  3 19  1  0  0  0
  3 20  1  0  0  0
  4  5  1  0  0  0
  4 21  1  0  0  0
  4 22  1  0  0  0
  5  6  1  0  0  0
  5 23  1  0  0  0
  5 24  1  0  0  0
  6  7  1  0  0  0
  6 25  1  0  0  0
  6 26  1  0  0  0
  7 13  1  0  0  0
  7  9  1  0  0  0
  7  8  2  0  0  0
  9 10  1  0  0  0
  9 27  1  0  0  0
  9 28  1  0  0  0
 10 11  1  0  0  0
 10 29  1  0  0  0
 10 30  1  0  0  0
 11 12  1  0  0  0
 11 31  1  0  0  0
 11 32  1  0  0  0
 12 33  1  0  0  0
 12 34  1  0  0  0
 13 35  1  0  0  0
M  END

>  <Chemical Name>
3-Aminopropyl(hexyl)phosphinic acid

>  <PubChem CID>
130023

>  <Formula>
C9H22NO2P

>  <Molecular Weight>
207.254000

>  <IUPAC Name>
3-aminopropyl(hexyl)phosphinic acid

>  <XlogP>
-1.6

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CCCCCCP(=O)(CCCN)O

>  <Isomeric SMILES>
CCCCCCP(=O)(CCCN)O

>  <InChI Std. ID>
InChI=1S/C9H22NO2P/c1-2-3-4-5-8-13(11,12)9-6-7-10/h2-10H2,1H3,(H,11,12)

>  <InChI Key>
QVUUPQCCYOPHFY-UHFFFAOYSA-N

