Chemical ID: 6047231

CCCCCCN(CCCCCC)N=O
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

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Descriptor Annotations

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