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Chemical ID: 6672582
Chemical ID:
6672582
Name [?]:
N'-[3-(2-aminophenyl)aminopropyl]benzene-1,2-diamine
SMILES [?]:
c1ccc(c(c1)N)NCCCNc2ccccc2N
InChi [?]:
InChI=1/C15H20N4/c16-12-6-1-3-8-14(12)18-10-5-11-19-15-9-4-2-7-13(15)17/h1-4,6-9,18-19H,5,10-11,16-17H2
InChi Info:
AuxInfo=1/0/N:1,16,2,15,10,6,17,3,14,9,11,5,18,4,13,7,19,8,12/E:(1,2)(3,4)(6,7)(8,9)(10,11)(12,13)(14,15)(16,17)(18,19)/rA:19nCCCCCCNNCCCNCCCCCCN/rB:s1;d2;s3;d4;d1s5;s5;s4;s8;s9;s10;s11;s12;s13;d14;s15;d16;d13s17;s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H20N4 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.85383 |
Area: | 486.248 |
Solvation: | -2.30237 |
Coulombic: | -57.9452 |
Bond Count [?]
All: | 20 |
Single: | 14 |
Double: | 6 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 256.346 |
H-Bond Donors: | 6 |
H-Bond Acceptors: | 4 |
XLogP: | 1.43 |
LogP (Chemaxon): | 1.55 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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