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Chemical ID: 7091855
Chemical ID:
7091855
Name [?]:
1-methylamino-3-(4-methylpiperazin-1-yl)-propan-2-ol
SMILES [?]:
CNCC(CN1CCN(CC1)C)O
InChi [?]:
InChI=1/C9H21N3O/c1-10-7-9(13)8-12-5-3-11(2)4-6-12/h9-10,13H,3-8H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,12,8,10,7,11,3,5,4,2,9,6,13/E:(3,4)(5,6)/rA:13cCNCCCNCCNCCCO/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s6s10;s9;s4;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H21N3O |
All Atoms: | 34 |
Heavy Atoms: | 13 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 5.82948 |
Area: | 377.391 |
Solvation: | -3.60529 |
Coulombic: | -33.6732 |
Bond Count [?]
All: | 13 |
Single: | 13 |
Double: | 0 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 187.283 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | -1.35 |
LogP (Chemaxon): | -0.8 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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