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Chemical ID: 4119700
Chemical ID:
4119700
Name [?]:
4-cyclohexylaminobutan-1-ol
SMILES [?]:
C1CCC(CC1)NCCCCO
InChi [?]:
InChI=1/C10H21NO/c12-9-5-4-8-11-10-6-2-1-3-7-10/h10-12H,1-9H2
InChi Info:
AuxInfo=1/0/N:1,2,6,9,10,3,5,8,11,4,7,12/E:(2,3)(6,7)/rA:12nCCCCCCNCCCCO/rB:s1;s2;s3;s4;s1s5;s4;s7;s8;s9;s10;s11;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H21NO |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.31713 |
Area: | 369.509 |
Solvation: | -1.9206 |
Coulombic: | -26.41 |
Bond Count [?]
All: | 12 |
Single: | 12 |
Double: | 0 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 171.28 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 2 |
XLogP: | 1.66 |
LogP (Chemaxon): | 1.44 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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