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Chemical ID: 6322512
Chemical ID:
6322512
Name [?]:
N-(3-dimethylaminopropyl)benzamide
SMILES [?]:
CN(C)CCCNC(=O)c1ccccc1
InChi [?]:
InChI=1/C12H18N2O/c1-14(2)10-6-9-13-12(15)11-7-4-3-5-8-11/h3-5,7-8H,6,9-10H2,1-2H3,(H,13,15)
InChi Info:
AuxInfo=1/1/N:1,3,13,12,14,5,11,15,6,4,10,8,7,2,9/E:(1,2)(4,5)(7,8)/rA:15nCNCCCCNCOCCCCCC/rB:s1;s2;s2;s4;s5;s6;s7;d8;s8;s10;d11;s12;d13;d10s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H18N2O |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.52273 |
Area: | 421.438 |
Solvation: | -2.01323 |
Coulombic: | -28.1924 |
Bond Count [?]
All: | 15 |
Single: | 11 |
Double: | 4 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 206.284 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 1.64 |
LogP (Chemaxon): | 0.98 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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