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Chemical ID: 5253979
Chemical ID:
5253979
Name [?]:
N,N-diethylbenzene-1,2-diamine
SMILES [?]:
CCN(CC)c1ccccc1N
InChi [?]:
InChI=1/C10H16N2/c1-3-12(4-2)10-8-6-5-7-9(10)11/h5-8H,3-4,11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,5,2,4,9,8,10,7,11,6,12,3/E:(1,2)(3,4)/rA:12nCCNCCCCCCCCN/rB:s1;s2;s3;s4;s3;s6;d7;s8;d9;d6s10;s11;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H16N2 |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.15393 |
Area: | 338.285 |
Solvation: | -1.3032 |
Coulombic: | -24.0159 |
Bond Count [?]
All: | 12 |
Single: | 9 |
Double: | 3 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 164.248 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 2 |
XLogP: | 2.26 |
LogP (Chemaxon): | 2.21 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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