Chemical ID: 5676856

CC(C[NH2+]C)(c1ccccc1)O
Chemical ID:
5676856
Name [?]:
(2-hydroxy-2-phenyl-propyl)-methyl-ammonium
SMILES [?]:
CC(C[NH2+]C)(c1ccccc1)O
InChi [?]:
InChI=1/C10H15NO/c1-10(12,8-11-2)9-6-4-3-5-7-9/h3-7,11-12H,8H2,1-2H3/p+1
InChi Info:
AuxInfo=1/1/N:1,5,9,8,10,7,11,3,6,2,4,12/E:(4,5)(6,7)/rA:12cCCCN+CCCCCCCO/rB:s1;s2;s3;s4;s2;s6;d7;s8;d9;d6s10;s2;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H16NO+
All Atoms:12
Heavy Atoms:12
Chiral Atoms:1
ZAP Information [?]
Total:-26.8438
Area:341.302
Solvation:-35.3763
Coulombic:17.1363
Bond Count [?]
All:12
Single:9
Double:3
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:166.24
H-Bond Donors:3
H-Bond Acceptors:2
XLogP:1.04
LogP (Chemaxon):1.28

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue