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Chemical ID: 5155988
Chemical ID:
5155988
Name [?]:
4-[(4-methoxyphenyl)methylamino]butan-1-ol
SMILES [?]:
COc1ccc(cc1)CNCCCCO
InChi [?]:
InChI=1/C12H19NO2/c1-15-12-6-4-11(5-7-12)10-13-8-2-3-9-14/h4-7,13-14H,2-3,8-10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,12,13,5,7,4,8,11,14,9,6,3,10,15,2/E:(4,5)(6,7)/rA:15nCOCCCCCCCNCCCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;s11;s12;s13;s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H19NO2 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.02077 |
Area: | 430.45 |
Solvation: | -3.74048 |
Coulombic: | -33.3899 |
Bond Count [?]
All: | 15 |
Single: | 12 |
Double: | 3 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 209.285 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 1.46 |
LogP (Chemaxon): | 1.38 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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