ChemDB: Chemical Search
Download
Chemical ID: 5227330
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
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|