KEGG   COMPOUND: C19278
Entry
C19278                      Compound                               
Name
N-Nitrosodiethanolamine
Formula
C4H10N2O3
Exact mass
134.0691
Mol weight
134.1338
Structure
Other DBs
CAS: 1116-54-7
PubChem: 124489950
ChEBI: 82357
KCF data

ATOM        9
            1   N1c N    28.2740  -17.0321
            2   C1b C    29.4985  -17.7391
            3   C1b C    27.0495  -17.7391
            4   N2b N    28.2740  -15.6181
            5   C1b C    30.7060  -17.0418
            6   O1a O    31.9052  -17.7341
            7   C1b C    25.8421  -17.0418
            8   O1a O    24.6428  -17.7341
            9   O3a O    29.4945  -14.9135
BOND        8
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     5   6 1
            6     3   7 1
            7     7   8 1
            8     4   9 2

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  All links  
Chemical substance (3)   
   PubChem (1)   
   ChEBI (1)   
   HSDB (1)   
All databases (3)   

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