Chemical ID: 6659236

CCCCN(CCCC)CCCCO
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

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Experimental Annotations

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Descriptor Annotations

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