Chemical ID: 5055730

CCN(CCCl)c1ccc(cc1)C=O
Chemical ID:
5055730
Name [?]:
4-(2-chloroethyl-ethyl-amino)benzaldehyde
SMILES [?]:
CCN(CCCl)c1ccc(cc1)C=O
InChi [?]:
InChI=1/C11H14ClNO/c1-2-13(8-7-12)11-5-3-10(9-14)4-6-11/h3-6,9H,2,7-8H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,9,11,8,12,5,4,13,10,7,6,3,14/E:(3,4)(5,6)/rA:14cCCNCCClCCCCCCCO/rB:s1;s2;s3;s4;s5;s3;s7;d8;s9;d10;d7s11;s10;d13;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H14ClNO
All Atoms:14
Heavy Atoms:14
Chiral Atoms:1
ZAP Information [?]
Total:7.62159
Area:404.355
Solvation:-2.48727
Coulombic:-14.7814
Bond Count [?]
All:14
Single:10
Double:4
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:211.688
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:3.11
LogP (Chemaxon):3.03

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