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Chemical ID: 7027340
Chemical ID:
7027340
Name [?]:
2-(2-hydroxy-3-phenoxy-propyl)aminobutan-1-ol
SMILES [?]:
CCC(CO)NCC(COc1ccccc1)O
InChi [?]:
InChI=1/C13H21NO3/c1-2-11(9-15)14-8-12(16)10-17-13-6-4-3-5-7-13/h3-7,11-12,14-16H,2,8-10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,14,13,15,12,16,7,4,9,3,8,11,6,5,17,10/E:(4,5)(6,7)/rA:17cCCCCONCCCOCCCCCCO/rB:s1;s2;s3;s4;s3;s6;s7;s8;s9;s10;s11;d12;s13;d14;d11s15;s8;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H21NO3 |
All Atoms: | 38 |
Heavy Atoms: | 17 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 5.83136 |
Area: | 459.735 |
Solvation: | -5.662 |
Coulombic: | -49.6919 |
Bond Count [?]
All: | 17 |
Single: | 14 |
Double: | 3 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 239.311 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 4 |
XLogP: | 0.99 |
LogP (Chemaxon): | 1.48 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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