KEGG   COMPOUND: C01740
Entry
C01740                      Compound                               
Name
Octylamine;
N-Octylamine;
Monoctylamine
Formula
C8H19N
Exact mass
129.1518
Mol weight
129.2432
Structure
Other DBs
CAS: 111-86-4
PubChem: 4875
ChEBI: 7728
PDB-CCD: FKZ[PDBj]
NIKKAJI: J5.115B
KCF data

ATOM        9
            1   C1b C    22.1200  -16.5496
            2   C1b C    20.9072  -15.8530
            3   C1b C    23.3328  -15.8530
            4   C1b C    19.6881  -16.5496
            5   C1b C    24.5519  -16.5496
            6   C1b C    18.4753  -15.8530
            7   C1b C    25.7647  -15.8530
            8   C1a C    17.2625  -16.5496
            9   N1a N    26.9775  -16.5496
BOND        8
            1     1   2 1
            2     1   3 1
            3     2   4 1
            4     3   5 1
            5     4   6 1
            6     5   7 1
            7     6   8 1
            8     7   9 1

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Chemical substance (11)   
   PubChem (1)   
   ChEBI (1)   
   MASSBANK (7)   
   NIKKAJI (1)   
   PDB-CCD (1)   
All databases (11)   

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