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Chemical ID: 5115001
Chemical ID:
5115001
Name [?]:
N-butyl-10-chloro-decan-1-amine
SMILES [?]:
CCCCNCCCCCCCCCCCl
InChi [?]:
InChI=1/C14H30ClN/c1-2-3-13-16-14-11-9-7-5-4-6-8-10-12-15/h16H,2-14H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,11,10,12,9,13,8,14,7,15,4,6,16,5/rA:16nCCCCNCCCCCCCCCCCl/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s14;s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H30ClN |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.5203 |
Area: | 540.283 |
Solvation: | -0.986832 |
Coulombic: | -12.4722 |
Bond Count [?]
All: | 15 |
Single: | 15 |
Double: | 0 |
Rotors: | 13 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 247.847 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 5.65 |
LogP (Chemaxon): | 4.59 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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