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Chemical ID: 4705903
Chemical ID:
4705903
Name [?]:
3-[4-(3-aminopropoxy)phenoxy]propan-1-amine
SMILES [?]:
c1cc(ccc1OCCCN)OCCCN
InChi [?]:
InChI=1/C12H20N2O2/c13-7-1-9-15-11-3-5-12(6-4-11)16-10-2-8-14/h3-6H,1-2,7-10,13-14H2
InChi Info:
AuxInfo=1/0/N:9,14,1,5,2,4,10,15,8,13,6,3,11,16,7,12/E:(1,2)(3,4,5,6)(7,8)(9,10)(11,12)(13,14)(15,16)/rA:16nCCCCCCOCCCNOCCCN/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;s9;s10;s3;s12;s13;s14;s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H20N2O2 |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.42627 |
Area: | 451.977 |
Solvation: | -3.87315 |
Coulombic: | -39.0999 |
Bond Count [?]
All: | 16 |
Single: | 13 |
Double: | 3 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 224.299 |
H-Bond Donors: | 4 |
H-Bond Acceptors: | 4 |
XLogP: | 1.02 |
LogP (Chemaxon): | 0.06 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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