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Chemical ID: 7242545
Chemical ID:
7242545
Name [?]:
[4-(amino-azaniumylidene-methyl)amino-1-carboxy-butyl]ammonium
SMILES [?]:
C(CC(C(=O)O)[NH3+])CNC(=[NH2+])N
InChi [?]:
InChI=1/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/p+2
InChi Info:
AuxInfo=1/1/N:1,2,8,3,4,10,7,11,12,9,5,6/E:(8,9)(11,12)/rA:12cCCCCOON+CNCN+N/rB:s1;s2;s3;d4;s4;s3;s1;s8;s9;d10;s10;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C6H16N4O2+2 |
All Atoms: | 28 |
Heavy Atoms: | 12 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | -94.473 |
Area: | 367.832 |
Solvation: | -103.669 |
Coulombic: | 17.8675 |
Bond Count [?]
All: | 11 |
Single: | 9 |
Double: | 2 |
Rotors: | 6 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | -3.78 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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