Chemical ID: 4730683

CCCCNC(=O)NCCCC
Chemical ID:
4730683
Name [?]:
1,3-dibutylurea
SMILES [?]:
CCCCNC(=O)NCCCC
InChi [?]:
InChI=1/C9H20N2O/c1-3-5-7-10-9(12)11-8-6-4-2/h3-8H2,1-2H3,(H2,10,11,12)
InChi Info:
AuxInfo=1/1/N:1,12,2,11,3,10,4,9,6,5,8,7/E:(1,2)(3,4)(5,6)(7,8)(10,11)/rA:12nCCCCNCONCCCC/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;s10;s11;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H20N2O
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:8.60362
Area:396.446
Solvation:-1.30753
Coulombic:-36.2026
Bond Count [?]
All:11
Single:10
Double:1
Rotors:8
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:172.268
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:2.05
LogP (Chemaxon):1.6

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Experimental Annotations

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Descriptor Annotations

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