Chemical ID: 3968108

CNCC(c1cccc(c1)O)O
Chemical ID:
3968108
Name [?]:
3-(1-hydroxy-2-methylamino-ethyl)phenol
SMILES [?]:
CNCC(c1cccc(c1)O)O
InChi [?]:
InChI=1/C9H13NO2/c1-10-6-9(12)7-3-2-4-8(11)5-7/h2-5,9-12H,6H2,1H3
InChi Info:
AuxInfo=1/0/N:1,7,6,8,10,3,5,9,4,2,11,12/rA:12cCNCCCCCCCCOO/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s9;s4;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H13NO2
All Atoms:12
Heavy Atoms:12
Chiral Atoms:1
ZAP Information [?]
Total:5.188
Area:344.382
Solvation:-3.42156
Coulombic:-41.8331
Bond Count [?]
All:12
Single:9
Double:3
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:167.205
H-Bond Donors:3
H-Bond Acceptors:3
XLogP:0.52
LogP (Chemaxon):0.25

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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