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Chemical ID: 4119287
Chemical ID:
4119287
Name [?]:
methyl 3-(3-dimethylaminopropylamino)propanoate
SMILES [?]:
CN(C)CCCNCCC(=O)OC
InChi [?]:
InChI=1/C9H20N2O2/c1-11(2)8-4-6-10-7-5-9(12)13-3/h10H,4-8H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,13,5,9,6,8,4,10,7,2,11,12/E:(1,2)/rA:13nCNCCCCNCCCOOC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;d10;s10;s12;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H20N2O2 |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.78491 |
Area: | 410.623 |
Solvation: | -2.48067 |
Coulombic: | -31.0516 |
Bond Count [?]
All: | 12 |
Single: | 11 |
Double: | 1 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 188.267 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | -0.1 |
LogP (Chemaxon): | -0.42 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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