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Chemical ID: 4519722
Chemical ID:
4519722
Name [?]:
N,N-dibutylbutan-1-amine
SMILES [?]:
CCCCN(CCCC)CCCC
InChi [?]:
InChI=1/C12H27N/c1-4-7-10-13(11-8-5-2)12-9-6-3/h4-12H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,9,13,2,8,12,3,7,11,4,6,10,5/E:(1,2,3)(4,5,6)(7,8,9)(10,11,12)/rA:13nCCCCNCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s5;s10;s11;s12;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H27N |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.1629 |
Area: | 431.48 |
Solvation: | -0.624082 |
Coulombic: | -7.64047 |
Bond Count [?]
All: | 12 |
Single: | 12 |
Double: | 0 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 185.35 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 4.11 |
LogP (Chemaxon): | 3.78 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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