Chemical ID: 3965344

CC(C)(C)NCC(c1ccc(c(c1)CO)O)O
Chemical ID:
3965344
Name [?]:
2-(hydroxymethyl)-4-(1-hydroxy-2-tert-butylamino-ethyl)-phenol
SMILES [?]:
CC(C)(C)NCC(c1ccc(c(c1)CO)O)O
InChi [?]:
InChI=1/C13H21NO3/c1-13(2,3)14-7-12(17)9-4-5-11(16)10(6-9)8-15/h4-6,12,14-17H,7-8H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,4,9,10,13,6,14,8,12,11,7,2,5,15,16,17/E:(1,2,3)/rA:17cCCCCNCCCCCCCCCOOO/rB:s1;s2;s2;s2;s5;s6;s7;s8;d9;s10;d11;d8s12;s12;s14;s11;s7;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H21NO3
All Atoms:17
Heavy Atoms:17
Chiral Atoms:1
ZAP Information [?]
Total:6.8822
Area:443.422
Solvation:-4.20334
Coulombic:-58.8036
Bond Count [?]
All:17
Single:14
Double:3
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:239.311
H-Bond Donors:4
H-Bond Acceptors:4
XLogP:1.44
LogP (Chemaxon):0.18

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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