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Chemical ID: 5253978
Chemical ID:
5253978
Name [?]:
N-(tetrahydrofuran-2-ylmethyl)benzene-1,4-diamine
SMILES [?]:
c1cc(ccc1N)NCC2CCCO2
InChi [?]:
InChI=1/C11H16N2O/c12-9-3-5-10(6-4-9)13-8-11-2-1-7-14-11/h3-6,11,13H,1-2,7-8,12H2
InChi Info:
AuxInfo=1/0/N:12,11,1,5,2,4,13,9,6,3,10,7,8,14/E:(3,4)(5,6)/rA:14cCCCCCCNNCCCCCO/rB:s1;d2;s3;d4;d1s5;s6;s3;s8;s9;s10;s11;s12;s10s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H16N2O |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 6.73 |
Area: | 381.018 |
Solvation: | -2.79545 |
Coulombic: | -36.0237 |
Bond Count [?]
All: | 15 |
Single: | 12 |
Double: | 3 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 192.258 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 3 |
XLogP: | 0.78 |
LogP (Chemaxon): | 1.07 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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