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Chemical ID: 7086694
Chemical ID:
7086694
Name [?]:
[3-(pyrrolidin-1-ylmethyl)phenyl]methanamine
SMILES [?]:
c1cc(cc(c1)CN2CCCC2)CN
InChi [?]:
InChI=1/C12H18N2/c13-9-11-4-3-5-12(8-11)10-14-6-1-2-7-14/h3-5,8H,1-2,6-7,9-10,13H2
InChi Info:
AuxInfo=1/0/N:10,11,1,2,6,9,12,4,13,7,3,5,14,8/E:(1,2)(6,7)/rA:14nCCCCCCCNCCCCCN/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s9;s10;s8s11;s3;s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H18N2 |
All Atoms: | 32 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.7592 |
Area: | 373.36 |
Solvation: | -1.57479 |
Coulombic: | -18.3045 |
Bond Count [?]
All: | 15 |
Single: | 12 |
Double: | 3 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 190.285 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 2 |
XLogP: | 1.4 |
LogP (Chemaxon): | 1.38 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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