KEGG   COMPOUND: C14422
Entry
C14422                      Compound                               
Name
N-Nitrosodiethylamine;
NDEA;
Diethylnitrosamine
Formula
C4H10N2O
Exact mass
102.0793
Mol weight
102.135
Structure
Other DBs
CAS: 55-18-5
PubChem: 17395422
ChEBI: 34873
NIKKAJI: J1.373K
KCF data

ATOM        7
            1   N2b N    26.9497  -17.9900
            2   N1c N    28.3496  -17.9900
            3   C1b C    29.0496  -19.2023
            4   C1b C    29.0496  -16.7776
            5   C1a C    30.4496  -16.7776
            6   C1a C    30.4496  -19.2023
            7   O3a O    25.5497  -17.9900
BOND        6
            1     1   2 1
            2     2   3 1
            3     2   4 1
            4     4   5 1
            5     3   6 1
            6     1   7 2

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Chemical substance (5)   
   PubChem (1)   
   ChEBI (1)   
   HSDB (1)   
   MASSBANK (1)   
   NIKKAJI (1)   
All databases (5)   

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