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Chemical ID: 7107576
Chemical ID:
7107576
Name [?]:
N-[(4-chlorophenyl)methyl]butan-1-amine
SMILES [?]:
CCCCNCc1ccc(cc1)Cl
InChi [?]:
InChI=1/C11H16ClN/c1-2-3-8-13-9-10-4-6-11(12)7-5-10/h4-7,13H,2-3,8-9H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,8,12,9,11,4,6,7,10,13,5/E:(4,5)(6,7)/rA:13nCCCCNCCCCCCCCl/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;d7s11;s10;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H16ClN |
All Atoms: | 29 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.16193 |
Area: | 405.287 |
Solvation: | -0.970251 |
Coulombic: | -11.6137 |
Bond Count [?]
All: | 13 |
Single: | 10 |
Double: | 3 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 197.704 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 3.51 |
LogP (Chemaxon): | 3.3 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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