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Chemical ID: 5171761
Chemical ID:
5171761
Name [?]:
4-dipropylaminobutan-1-ol
SMILES [?]:
CCCN(CCC)CCCCO
InChi [?]:
InChI=1/C10H23NO/c1-3-7-11(8-4-2)9-5-6-10-12/h12H,3-10H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,7,2,6,9,10,3,5,8,11,4,12/E:(1,2)(3,4)(7,8)/rA:12nCCCNCCCCCCCO/rB:s1;s2;s3;s4;s5;s6;s4;s8;s9;s10;s11;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H23NO |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.03091 |
Area: | 398.718 |
Solvation: | -1.93703 |
Coulombic: | -22.758 |
Bond Count [?]
All: | 11 |
Single: | 11 |
Double: | 0 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 173.296 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 1.63 |
LogP (Chemaxon): | 1.84 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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