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Chemical ID: 6109901
Chemical ID:
6109901
Name [?]:
N-methyl-N-nitroso-dodecan-1-amine
SMILES [?]:
CCCCCCCCCCCCN(C)N=O
InChi [?]:
InChI=1/C13H28N2O/c1-3-4-5-6-7-8-9-10-11-12-13-15(2)14-16/h3-13H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,14,2,3,4,5,6,7,8,9,10,11,12,15,13,16/rA:16nCCCCCCCCCCCCNCNO/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s13;d15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H28N2O |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.6385 |
Area: | 505.872 |
Solvation: | -1.00832 |
Coulombic: | -7.21106 |
Bond Count [?]
All: | 15 |
Single: | 14 |
Double: | 1 |
Rotors: | 12 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 228.374 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 5.63 |
LogP (Chemaxon): | 4.39 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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