Chemical ID: 5227330

Cc1ccc(cc1)N(CCCl)CCCl
Chemical ID:
5227330
Name [?]:
N,N-bis(2-chloroethyl)-4-methyl-aniline
SMILES [?]:
Cc1ccc(cc1)N(CCCl)CCCl
InChi [?]:
InChI=1/C11H15Cl2N/c1-10-2-4-11(5-3-10)14(8-6-12)9-7-13/h2-5H,6-9H2,1H3
InChi Info:
AuxInfo=1/0/N:1,3,7,4,6,10,13,9,12,2,5,11,14,8/E:(2,3)(4,5)(6,7)(8,9)(12,13)/rA:14nCCCCCCCNCCClCCCl/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;s10;s8;s12;s13;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H15Cl2N
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:9.50015
Area:429.076
Solvation:-1.22674
Coulombic:-9.18536
Bond Count [?]
All:14
Single:11
Double:3
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:232.149
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:4.2
LogP (Chemaxon):4.19

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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