Chemical ID: 4607910

CCCCCCCNc1ccccc1
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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