Marvin  08120816552D          

  7  6  0  0  0  0            999 V2000
   -2.1434   -0.1768    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.2357    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.1768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.2357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.1768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.2357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.1768    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  4  1  1  0  0  0  0
  3  2  1  0  0  0  0
  6  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  2  7  1  0  0  0  0
M  END
> <ID>
CHEBI:50435

> <NAME>
N-hydroxyputrescine

> <STAR>
3

> <IUPAC_NAME>
N-hydroxybutane-1,4-diamine

> <FORMULA>
C4H12N2O

> <MASS>
104.15096

> <MONOISOTOPIC_MASS>
104.09496

> <CHARGE>
0

> <SMILES>
NCCCCNO

> <INCHI>
InChI=1S/C4H12N2O/c5-3-1-2-4-6-7/h6-7H,1-5H2

> <INCHIKEY>
BKPWWGCYCSOYNQ-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
2423955

> <CAS_REGISTRY_NUMBER>
6536-85-2

> <CHEMIDPLUS>
6536-85-2

$$$$