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Chemical ID: 7513366
Chemical ID:
7513366
Name [?]:
2-[2-(4-bromophenoxy)ethylamino]ethanol
SMILES [?]:
c1cc(ccc1OCCNCCO)Br
InChi [?]:
InChI=1/C10H14BrNO2/c11-9-1-3-10(4-2-9)14-8-6-12-5-7-13/h1-4,12-13H,5-8H2
InChi Info:
AuxInfo=1/0/N:2,4,1,5,11,9,12,8,3,6,14,10,13,7/E:(1,2)(3,4)/rA:14nCCCCCCOCCNCCOBr/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;s9;s10;s11;s12;s3;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H14BrNO2 |
All Atoms: | 28 |
Heavy Atoms: | 14 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 6.36875 |
Area: | 409.588 |
Solvation: | -3.87096 |
Coulombic: | -32.8173 |
Bond Count [?]
All: | 14 |
Single: | 11 |
Double: | 3 |
Rotors: | 6 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 1.64 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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