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Chemical ID: 5253969
Chemical ID:
5253969
Name [?]:
N',N'-dibutyl-2-methyl-benzene-1,4-diamine
SMILES [?]:
CCCCN(CCCC)c1ccc(c(c1)C)N
InChi [?]:
InChI=1/C15H26N2/c1-4-6-10-17(11-7-5-2)14-8-9-15(16)13(3)12-14/h8-9,12H,4-7,10-11,16H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,9,16,2,8,3,7,11,12,4,6,15,14,10,13,17,5/E:(1,2)(4,5)(6,7)(10,11)/rA:17nCCCCNCCCCCCCCCCCN/rB:s1;s2;s3;s4;s5;s6;s7;s8;s5;s10;d11;s12;d13;d10s14;s14;s13;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H26N2 |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.6584 |
Area: | 472.031 |
Solvation: | -1.14239 |
Coulombic: | -24.8079 |
Bond Count [?]
All: | 17 |
Single: | 14 |
Double: | 3 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 234.38 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 2 |
XLogP: | 4.34 |
LogP (Chemaxon): | 4.41 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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