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Chemical ID: 4688182
Chemical ID:
4688182
Name [?]:
4-(4-methylpiperazin-1-yl)aniline
SMILES [?]:
CN1CCN(CC1)c2ccc(cc2)N
InChi [?]:
InChI=1/C11H17N3/c1-13-6-8-14(9-7-13)11-4-2-10(12)3-5-11/h2-5H,6-9,12H2,1H3
InChi Info:
AuxInfo=1/0/N:1,10,12,9,13,3,7,4,6,11,8,14,2,5/E:(2,3)(4,5)(6,7)(8,9)/rA:14nCNCCNCCCCCCCCN/rB:s1;s2;s3;s4;s5;s2s6;s5;s8;d9;s10;d11;d8s12;s11;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H17N3 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.19254 |
Area: | 362.009 |
Solvation: | -1.85768 |
Coulombic: | -27.7017 |
Bond Count [?]
All: | 15 |
Single: | 12 |
Double: | 3 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 191.273 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 1.06 |
LogP (Chemaxon): | 1.33 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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