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Chemical ID: 6653426
Chemical ID:
6653426
Name [?]:
N-[(4-aminophenyl)methyl]acetamide
SMILES [?]:
CC(=O)NCc1ccc(cc1)N
InChi [?]:
InChI=1/C9H12N2O/c1-7(12)11-6-8-2-4-9(10)5-3-8/h2-5H,6,10H2,1H3,(H,11,12)
InChi Info:
AuxInfo=1/1/N:1,7,11,8,10,5,2,6,9,12,4,3/E:(2,3)(4,5)/rA:12nCCONCCCCCCCN/rB:s1;d2;s2;s4;s5;s6;d7;s8;d9;d6s10;s9;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H12N2O |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.55209 |
Area: | 346.893 |
Solvation: | -2.12024 |
Coulombic: | -36.7196 |
Bond Count [?]
All: | 12 |
Single: | 8 |
Double: | 4 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 164.204 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 3 |
XLogP: | 0.6 |
LogP (Chemaxon): | 0.21 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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