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Chemical ID: 7231988
Chemical ID:
7231988
Name [?]:
2-carboxyethyl-[2-(2-carboxyethylammonio)ethyl]ammonium
SMILES [?]:
C(C[NH2+]CC[NH2+]CCC(=O)O)C(=O)O
InChi [?]:
InChI=1/C8H16N2O4/c11-7(12)1-3-9-5-6-10-4-2-8(13)14/h9-10H,1-6H2,(H,11,12)(H,13,14)/p+2
InChi Info:
AuxInfo=1/1/N:1,8,2,7,4,5,12,9,3,6,13,14,10,11/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12,13,14)/gE:(1,2)/rA:14nCCN+CCN+CCCOOCOO/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s9;s1;d12;s12;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C8H18N2O4+2 |
All Atoms: | 32 |
Heavy Atoms: | 14 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | -106.609 |
Area: | 425.932 |
Solvation: | -117.257 |
Coulombic: | 75.1571 |
Bond Count [?]
All: | 13 |
Single: | 11 |
Double: | 2 |
Rotors: | 9 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | -1.48 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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