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Chemical ID: 5829695
Chemical ID:
5829695
Name [?]:
1-(p-tolylmethyl)pyrrolidine
SMILES [?]:
Cc1ccc(cc1)CN2CCCC2
InChi [?]:
InChI=1/C12H17N/c1-11-4-6-12(7-5-11)10-13-8-2-3-9-13/h4-7H,2-3,8-10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,11,12,3,7,4,6,10,13,8,2,5,9/E:(2,3)(4,5)(6,7)(8,9)/rA:13nCCCCCCCCNCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;s10;s11;s9s12;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H17N |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.72381 |
Area: | 353.084 |
Solvation: | -1.10329 |
Coulombic: | -6.57863 |
Bond Count [?]
All: | 14 |
Single: | 11 |
Double: | 3 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 175.27 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 2.72 |
LogP (Chemaxon): | 2.73 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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