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Chemical ID: 4759593
Chemical ID:
4759593
Name [?]:
[5-(aminomethyl)-2,4-dimethyl-phenyl]methanamine
SMILES [?]:
Cc1cc(c(cc1CN)CN)C
InChi [?]:
InChI=1/C10H16N2/c1-7-3-8(2)10(6-12)4-9(7)5-11/h3-4H,5-6,11-12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,12,3,6,8,10,2,4,7,5,9,11/E:(1,2)(5,6)(7,8)(9,10)(11,12)/rA:12nCCCCCCCCNCNC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s5;s10;s4;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H16N2 |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.13553 |
Area: | 340.798 |
Solvation: | -1.38441 |
Coulombic: | -24.9194 |
Bond Count [?]
All: | 12 |
Single: | 9 |
Double: | 3 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 164.248 |
H-Bond Donors: | 4 |
H-Bond Acceptors: | 2 |
XLogP: | 1.14 |
LogP (Chemaxon): | 1.22 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
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