Chemical ID: 5115083

CCN(CC)CCNc1ccccc1Cl
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

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Descriptor Annotations

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