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Chemical ID: 7378558
Chemical ID:
7378558
Name [?]:
1-[bis(2-methoxyethyl)amino]-3-(2-isopropylphenoxy)-propan-2-ol
SMILES [?]:
CC(C)c1ccccc1OCC(CN(CCOC)CCOC)O
InChi [?]:
InChI=1/C18H31NO4/c1-15(2)17-7-5-6-8-18(17)23-14-16(20)13-19(9-11-21-3)10-12-22-4/h5-8,15-16,20H,9-14H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,3,18,22,6,7,5,8,15,19,16,20,13,11,2,12,4,9,14,23,17,21,10/E:(1,2)(3,4)(9,10)(11,12)(21,22)/rA:23cCCCCCCCCCOCCCNCCOCCCOCO/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s9;s10;s11;s12;s13;s14;s15;s16;s17;s14;s19;s20;s21;s12;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H31NO4 |
All Atoms: | 54 |
Heavy Atoms: | 23 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 5.30316 |
Area: | 579.317 |
Solvation: | -9.17975 |
Coulombic: | -42.7647 |
Bond Count [?]
All: | 23 |
Single: | 20 |
Double: | 3 |
Rotors: | 12 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 325.443 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 1.93 |
LogP (Chemaxon): | 2.26 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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