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Chemical ID: 4730683
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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