Chemical ID: 6109901

CCCCCCCCCCCCN(C)N=O
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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