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Chemical ID: 6659236
Chemical ID:
6659236
Name [?]:
4-dibutylaminobutan-1-ol
SMILES [?]:
CCCCN(CCCC)CCCCO
InChi [?]:
InChI=1/C12H27NO/c1-3-5-9-13(10-6-4-2)11-7-8-12-14/h14H,3-12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,9,2,8,3,7,11,12,4,6,10,13,5,14/E:(1,2)(3,4)(5,6)(9,10)/rA:14nCCCCNCCCCCCCCO/rB:s1;s2;s3;s4;s5;s6;s7;s8;s5;s10;s11;s12;s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H27NO |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.3683 |
Area: | 453.075 |
Solvation: | -1.95858 |
Coulombic: | -23.3984 |
Bond Count [?]
All: | 13 |
Single: | 13 |
Double: | 0 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 201.349 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.77 |
LogP (Chemaxon): | 2.63 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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