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Chemical ID: 4260869
Chemical ID:
4260869
Name [?]:
(2-hydroxy-1-methyl-2-phenyl-ethyl)ammonium
SMILES [?]:
CC(C(c1ccccc1)O)[NH3+]
InChi [?]:
InChI=1/C9H13NO/c1-7(10)9(11)8-5-3-2-4-6-8/h2-7,9,11H,10H2,1H3/p+1
InChi Info:
AuxInfo=1/1/N:1,7,6,8,5,9,2,4,3,11,10/E:(3,4)(5,6)/rA:11cCCCCCCCCCON+/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s3;s2;/rC:;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H14NO+ |
All Atoms: | 11 |
Heavy Atoms: | 11 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | -31.9524 |
Area: | 314.888 |
Solvation: | -39.8246 |
Coulombic: | 24.2683 |
Bond Count [?]
All: | 11 |
Single: | 8 |
Double: | 3 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 152.214 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 1.0 |
LogP (Chemaxon): | 1.2 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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