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Chemical ID: 4682465
Chemical ID:
4682465
Name [?]:
1-phenylheptan-4-amine
SMILES [?]:
CCCC(CCCc1ccccc1)N
InChi [?]:
InChI=1/C13H21N/c1-2-7-13(14)11-6-10-12-8-4-3-5-9-12/h3-5,8-9,13H,2,6-7,10-11,14H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,11,10,12,6,3,9,13,7,5,8,4,14/E:(4,5)(8,9)/rA:14cCCCCCCCCCCCCCN/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s10;d11;d8s12;s4;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H21N |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.38055 |
Area: | 411.603 |
Solvation: | -0.90951 |
Coulombic: | -15.4723 |
Bond Count [?]
All: | 14 |
Single: | 11 |
Double: | 3 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 191.313 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 1 |
XLogP: | 3.62 |
LogP (Chemaxon): | 3.49 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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