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Chemical ID: 4670951
Chemical ID:
4670951
Name [?]:
(1-methyl-3-phenyl-propyl)ammonium
SMILES [?]:
CC(CCc1ccccc1)[NH3+]
InChi [?]:
InChI=1/C10H15N/c1-9(11)7-8-10-5-3-2-4-6-10/h2-6,9H,7-8,11H2,1H3/p+1
InChi Info:
AuxInfo=1/1/N:1,8,7,9,6,10,3,4,2,5,11/E:(3,4)(5,6)/rA:11cCCCCCCCCCCN+/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s2;/rC:;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H16N+ |
All Atoms: | 11 |
Heavy Atoms: | 11 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | -30.2073 |
Area: | 335.663 |
Solvation: | -38.5988 |
Coulombic: | 39.9804 |
Bond Count [?]
All: | 11 |
Single: | 8 |
Double: | 3 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 150.241 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 2.12 |
LogP (Chemaxon): | 2.22 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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