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Chemical ID: 7445656
Chemical ID:
7445656
Name [?]:
1-diethylamino-3-hexoxy-propan-2-ol
SMILES [?]:
CCCCCCOCC(CN(CC)CC)O
InChi [?]:
InChI=1/C13H29NO2/c1-4-7-8-9-10-16-12-13(15)11-14(5-2)6-3/h13,15H,4-12H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,13,15,2,12,14,3,4,5,6,10,8,9,11,16,7/E:(2,3)(5,6)/rA:16cCCCCCCOCCCNCCCCO/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;s11;s12;s11;s14;s9;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H29NO2 |
All Atoms: | 45 |
Heavy Atoms: | 16 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.97798 |
Area: | 481.588 |
Solvation: | -4.06172 |
Coulombic: | -30.4374 |
Bond Count [?]
All: | 15 |
Single: | 15 |
Double: | 0 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 231.375 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.54 |
LogP (Chemaxon): | 2.3 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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