Chemical ID: 7445656

CCCCCCOCC(CN(CC)CC)O
Chemical ID:
7445656
Name [?]:
1-diethylamino-3-hexoxy-propan-2-ol
SMILES [?]:
CCCCCCOCC(CN(CC)CC)O
InChi [?]:
InChI=1/C13H29NO2/c1-4-7-8-9-10-16-12-13(15)11-14(5-2)6-3/h13,15H,4-12H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,13,15,2,12,14,3,4,5,6,10,8,9,11,16,7/E:(2,3)(5,6)/rA:16cCCCCCCOCCCNCCCCO/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;s11;s12;s11;s14;s9;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H29NO2
All Atoms:45
Heavy Atoms:16
Chiral Atoms:1
ZAP Information [?]
Total:7.97798
Area:481.588
Solvation:-4.06172
Coulombic:-30.4374
Bond Count [?]
All:15
Single:15
Double:0
Rotors:11
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:231.375
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.54
LogP (Chemaxon):2.3

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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