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Chemical ID: 5083771
Chemical ID:
5083771
Name [?]:
1-(2-aminoethylamino)-3-isobutoxy-propan-2-ol
SMILES [?]:
CC(C)COCC(CNCCN)O
InChi [?]:
InChI=1/C9H22N2O2/c1-8(2)6-13-7-9(12)5-11-4-3-10/h8-9,11-12H,3-7,10H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,11,10,8,4,6,2,7,12,9,13,5/E:(1,2)/rA:13cCCCCOCCCNCCNO/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s10;s11;s7;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H22N2O2 |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 5.84963 |
Area: | 415.127 |
Solvation: | -4.52853 |
Coulombic: | -44.9245 |
Bond Count [?]
All: | 12 |
Single: | 12 |
Double: | 0 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 190.283 |
H-Bond Donors: | 4 |
H-Bond Acceptors: | 4 |
XLogP: | -0.74 |
LogP (Chemaxon): | -0.32 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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