Chemical ID: 4119287

CN(C)CCCNCCC(=O)OC
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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