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Chemical ID: 4994847
Chemical ID:
4994847
Name [?]:
4-(diethylaminomethyl)aniline
SMILES [?]:
CCN(CC)Cc1ccc(cc1)N
InChi [?]:
InChI=1/C11H18N2/c1-3-13(4-2)9-10-5-7-11(12)8-6-10/h5-8H,3-4,9,12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,5,2,4,8,12,9,11,6,7,10,13,3/E:(1,2)(3,4)(5,6)(7,8)/rA:13nCCNCCCCCCCCCN/rB:s1;s2;s3;s4;s3;s6;s7;d8;s9;d10;d7s11;s10;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H18N2 |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.91497 |
Area: | 370.755 |
Solvation: | -1.3539 |
Coulombic: | -22.5343 |
Bond Count [?]
All: | 13 |
Single: | 10 |
Double: | 3 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 178.274 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 2 |
XLogP: | 1.8 |
LogP (Chemaxon): | 1.84 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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