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Chemical ID: 6915750
Chemical ID:
6915750
Name [?]:
[4-(2-carboxyethylaminomethyl)phenyl]methylammonium
SMILES [?]:
c1cc(ccc1C[NH3+])CNCCC(=O)O
InChi [?]:
InChI=1/C11H16N2O2/c12-7-9-1-3-10(4-2-9)8-13-6-5-11(14)15/h1-4,13H,5-8,12H2,(H,14,15)/p+1
InChi Info:
AuxInfo=1/1/N:1,5,2,4,12,11,7,9,6,3,13,8,10,14,15/E:(1,2)(3,4)(14,15)/rA:15nCCCCCCCN+CNCCCOO/rB:s1;d2;s3;d4;d1s5;s6;s7;s3;s9;s10;s11;s12;d13;s13;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H17N2O2+ |
All Atoms: | 32 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -30.8136 |
Area: | 419.421 |
Solvation: | -41.2991 |
Coulombic: | 7.64351 |
Bond Count [?]
All: | 15 |
Single: | 11 |
Double: | 4 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 209.265 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 0.2 |
LogP (Chemaxon): | -2.66 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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