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Chemical ID: 5829725
Chemical ID:
5829725
Name [?]:
2-(diallylaminomethyl)phenol
SMILES [?]:
C=CCN(CC=C)Cc1ccccc1O
InChi [?]:
InChI=1/C13H17NO/c1-3-9-14(10-4-2)11-12-7-5-6-8-13(12)15/h3-8,15H,1-2,9-11H2
InChi Info:
AuxInfo=1/0/N:1,7,2,6,11,12,10,13,3,5,8,9,14,4,15/E:(1,2)(3,4)(9,10)/rA:15nCCCNCCCCCCCCCCO/rB:d1;s2;s3;s4;s5;d6;s4;s8;s9;d10;s11;d12;d9s13;s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H17NO |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.54633 |
Area: | 379.094 |
Solvation: | -1.93102 |
Coulombic: | -25.5637 |
Bond Count [?]
All: | 15 |
Single: | 10 |
Double: | 5 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 203.28 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.6 |
LogP (Chemaxon): | 3.13 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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