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Chemical ID: 4607910
Chemical ID:
4607910
Name [?]:
N-phenylheptan-1-amine
SMILES [?]:
CCCCCCCNc1ccccc1
InChi [?]:
InChI=1/C13H21N/c1-2-3-4-5-9-12-14-13-10-7-6-8-11-13/h6-8,10-11,14H,2-5,9,12H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,4,5,12,11,13,6,10,14,7,9,8/E:(7,8)(10,11)/rA:14nCCCCCCCNCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;d10;s11;d12;d9s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H21N |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.71216 |
Area: | 423.736 |
Solvation: | -0.881241 |
Coulombic: | -14.8716 |
Bond Count [?]
All: | 14 |
Single: | 11 |
Double: | 3 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 191.313 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 4.72 |
LogP (Chemaxon): | 4.02 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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