
 CID 10058852

 31 31  0  0  0  0  0  0  0  0999 V2000
   -0.6700    0.5562   -2.1907 C   0  0  0  0  0
    0.4059    1.6195   -2.0036 C   0  0  0  0  0
    0.9338    1.5962   -0.5778 C   0  0  0  0  0
    1.4298    0.2974   -0.2587 O   0  0  0  0  0
    0.3952   -0.7068   -0.2879 C   0  0  0  0  0
   -0.1804   -0.8023   -1.6993 C   0  0  0  0  0
    1.1953   -2.2155    0.3056 P   0  0  0  0  0
    1.6586   -2.1591    1.7300 O   0  0  0  0  0
    0.1824   -3.6322   -0.0808 C   0  0  0  0  0
   -1.1880   -3.6671    0.5881 C   0  0  0  0  0
   -1.1039   -3.7386    2.1112 C   0  0  0  0  0
   -2.4453   -3.8748    2.6690 N   0  0  0  0  0
    2.4623   -2.3708   -0.6899 O   0  0  0  0  0
   -1.5669    0.8444   -1.6292 H   0  0  0  0  0
   -0.9572    0.4933   -3.2459 H   0  0  0  0  0
    0.0109    2.6103   -2.2499 H   0  0  0  0  0
    1.2308    1.4080   -2.6955 H   0  0  0  0  0
    1.7619    2.3045   -0.4737 H   0  0  0  0  0
    0.1594    1.8822    0.1438 H   0  0  0  0  0
   -0.3885   -0.4357    0.4298 H   0  0  0  0  0
    0.5959   -1.1646   -2.3837 H   0  0  0  0  0
   -1.0002   -1.5263   -1.7334 H   0  0  0  0  0
    0.7409   -4.5367    0.1882 H   0  0  0  0  0
    0.0398   -3.6747   -1.1666 H   0  0  0  0  0
   -1.7329   -4.5410    0.2092 H   0  0  0  0  0
   -1.7596   -2.7800    0.2931 H   0  0  0  0  0
   -0.6488   -2.8331    2.5214 H   0  0  0  0  0
   -0.4960   -4.5960    2.4193 H   0  0  0  0  0
   -2.9880   -3.0345    2.4763 H   0  0  0  0  0
   -2.3743   -3.9335    3.6853 H   0  0  0  0  0
    3.0829   -1.6210   -0.5772 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 14  1  0  0  0
  1 15  1  0  0  0
  2  3  1  0  0  0
  2 16  1  0  0  0
  2 17  1  0  0  0
  3  4  1  0  0  0
  3 18  1  0  0  0
  3 19  1  0  0  0
  4  5  1  0  0  0
  5  6  1  0  0  0
  5  7  1  0  0  0
  5 20  1  0  0  0
  6 21  1  0  0  0
  6 22  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 23  1  0  0  0
  9 24  1  0  0  0
 10 11  1  0  0  0
 10 25  1  0  0  0
 10 26  1  0  0  0
 11 12  1  0  0  0
 11 27  1  0  0  0
 11 28  1  0  0  0
 12 29  1  0  0  0
 12 30  1  0  0  0
 13 31  1  0  0  0
M  END

>  <Chemical Name>
CID 10058852

>  <PubChem CID>
10058852

>  <Formula>
C8H18NO3P

>  <Molecular Weight>
207.210000

>  <IUPAC Name>
3-aminopropyl(oxan-2-yl)phosphinic acid

>  <XlogP>
-3.1

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CCOC(C1)P(=O)(CCCN)O

>  <Isomeric SMILES>
C1CCOC(C1)P(=O)(CCCN)O

>  <InChI Std. ID>
InChI=1S/C8H18NO3P/c9-5-3-7-13(10,11)8-4-1-2-6-12-8/h8H,1-7,9H2,(H,10,11)

>  <InChI Key>
DHBXWLNHWAYPTF-UHFFFAOYSA-N

