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Chemical ID: 5262106
Chemical ID:
5262106
Name [?]:
tris(1-adamantylamino)-dihydroxy-magnesium
SMILES [?]:
C1C2CC3CC1CC(C2)(C3)N[Mg+2](NC45CC6CC(C4)CC(C6)C5)(NC78CC9CC(C7)CC(C9)C8)(O)O
InChi [?]:
InChI=1/3C10H16N.Mg.2H2O/c3*11-10-4-7-1-8(5-10)3-9(2-7)6-10;;;/h3*7-9,11H,1-6H2;;2*1H2/q3*-1;+7;;/p-2
InChi Info:
AuxInfo=1/1/N:1,3,5,9,7,10,2,6,4,8,11;17,20,22,19,15,23,18,16,21,14,13;28,31,33,30,26,34,29,27,32,25,24;12;35;36/E:3*(1,2,3)(4,5,6)(7,8,9);;;/CRV:3*11-1;;;/rA:36nCCCCCCCCCCNMg+2NCCCCCCCCCCNCCCCCCCCCCOO/rB:s1;s2;s3;s4;s1s5;s6;s7;s2s8;s4s8;s8;s11;s12;s13;s14;s15;s16;s17;s14s18;s18;s20;s16s21;s14s21;s12;s24;s25;s26;s27;s28;s25s29;s29;s31;s27s32;s25s32;s12;s12;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C30H50MgN3O2+2 |
All Atoms: | 36 |
Heavy Atoms: | 36 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 21.7117 |
Area: | 0.0 |
Solvation: | 21.7117 |
Coulombic: | 0.0 |
Bond Count [?]
All: | 44 |
Single: | 44 |
Double: | 0 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 509.042 |
H-Bond Donors: | 5 |
H-Bond Acceptors: | 5 |
XLogP: | 7.27 |
LogP (Chemaxon): | 2.5 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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