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Chemical ID: 6047231
Chemical ID:
6047231
Name [?]:
N-hexyl-N-nitroso-hexan-1-amine
SMILES [?]:
CCCCCCN(CCCCCC)N=O
InChi [?]:
InChI=1/C12H26N2O/c1-3-5-7-9-11-14(13-15)12-10-8-6-4-2/h3-12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,13,2,12,3,11,4,10,5,9,6,8,14,7,15/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)/rA:15nCCCCCCNCCCCCCNO/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;s11;s12;s7;d14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H26N2O |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.9456 |
Area: | 473.871 |
Solvation: | -0.901168 |
Coulombic: | -7.07426 |
Bond Count [?]
All: | 14 |
Single: | 13 |
Double: | 1 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 214.348 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 4.7 |
LogP (Chemaxon): | 4.01 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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