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Chemical ID: 5115083
Chemical ID:
5115083
Name [?]:
N'-(2-chlorophenyl)-N,N-diethyl-ethane-1,2-diamine
SMILES [?]:
CCN(CC)CCNc1ccccc1Cl
InChi [?]:
InChI=1/C12H19ClN2/c1-3-15(4-2)10-9-14-12-8-6-5-7-11(12)13/h5-8,14H,3-4,9-10H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,5,2,4,12,11,13,10,7,6,14,9,15,8,3/E:(1,2)(3,4)/rA:15nCCNCCCCNCCCCCCCl/rB:s1;s2;s3;s4;s3;s6;s7;s8;s9;d10;s11;d12;d9s13;s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H19ClN2 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.70488 |
Area: | 434.72 |
Solvation: | -1.16312 |
Coulombic: | -19.1897 |
Bond Count [?]
All: | 15 |
Single: | 12 |
Double: | 3 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 226.745 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.99 |
LogP (Chemaxon): | 2.8 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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