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Chemical ID: 5009247
Chemical ID:
5009247
Name [?]:
N,N-dimethyl-4-pyrrolidin-2-yl-aniline
SMILES [?]:
CN(C)c1ccc(cc1)C2CCCN2
InChi [?]:
InChI=1/C12H18N2/c1-14(2)11-7-5-10(6-8-11)12-4-3-9-13-12/h5-8,12-13H,3-4,9H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,12,11,6,8,5,9,13,7,4,10,14,2/E:(1,2)(5,6)(7,8)/rA:14cCNCCCCCCCCCCCN/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;s10;s11;s12;s10s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H18N2 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.83022 |
Area: | 372.654 |
Solvation: | -1.48613 |
Coulombic: | -15.8487 |
Bond Count [?]
All: | 15 |
Single: | 12 |
Double: | 3 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 190.285 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.35 |
LogP (Chemaxon): | 2.23 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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