Chemical ID: 7231988

C(C[NH2+]CC[NH2+]CCC(=O)O)C(=O)O
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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