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Chemical ID: 6619995
Chemical ID:
6619995
Name [?]:
1-diphenylaminobutan-2-ol
SMILES [?]:
CCC(CN(c1ccccc1)c2ccccc2)O
InChi [?]:
InChI=1/C16H19NO/c1-2-16(18)13-17(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12,16,18H,2,13H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,9,15,8,10,14,16,7,11,13,17,4,6,12,3,5,18/E:(3,4)(5,6,7,8)(9,10,11,12)(14,15)/rA:18cCCCCNCCCCCCCCCCCCO/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s5;s12;d13;s14;d15;d12s16;s3;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H19NO |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.54295 |
Area: | 437.996 |
Solvation: | -2.40694 |
Coulombic: | -25.5493 |
Bond Count [?]
All: | 19 |
Single: | 13 |
Double: | 6 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 241.328 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.91 |
LogP (Chemaxon): | 3.98 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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