Chemical ID: 6693844

CCCCN(CC)N=O
Chemical ID:
6693844
Name [?]:
N-ethyl-N-nitroso-butan-1-amine
SMILES [?]:
CCCCN(CC)N=O
InChi [?]:
InChI=1/C6H14N2O/c1-3-5-6-8(4-2)7-9/h3-6H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,7,2,6,3,4,8,5,9/rA:9nCCCCNCCNO/rB:s1;s2;s3;s4;s5;s6;s5;d8;/rC:;;;;;;;;;

Chemical Details

Atom Count
Formula:C6H14N2O
All Atoms:9
Heavy Atoms:9
Chiral Atoms:0
ZAP Information [?]
Total:6.93417
Area:313.078
Solvation:-0.892778
Coulombic:-5.11907
Bond Count [?]
All:8
Single:7
Double:1
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:130.188
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:1.5
LogP (Chemaxon):1.56

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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