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L 1935

CAT: 0013-GTR19194086-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19194086-02Size:50 mg
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Description
L 1935
CAS Number
13957-35-2
Smiles
C (CC (C) N) (C1=CC (C) =C (O) C=C1) C2=CC=C (O) C=C2
Molecular Formula
C17H21NO2
Molecular Weight
271.35
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

4-(3-Amino-1-(4-hydroxyphenyl)butyl)-2-methylphenol

structure

CAS Number13957-35-2
PubChem CID26348
IUPAC Name4-[3-amino-1-(4-hydroxyphenyl)butyl]-2-methylphenol
Molecular FormulaC17H21NO2
Molecular Weight271.35
XLogP3.1
Topological Polar Surface Area66.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count20
Formal Charge0
Complexity289
SMILES
CC1=C(C=CC(=C1)C(CC(C)N)C2=CC=C(C=C2)O)O
InChI
InChI=1S/C17H21NO2/c1-11-9-14(5-8-17(11)20)16(10-12(2)18)13-3-6-15(19)7-4-13/h3-9,12,16,19-20H,10,18H2,1-2H3
InChIKey
QQXUACLYCIWJIU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-(3-Amino-1-(4-hydroxyphenyl)butyl)-2-methylphenol
CAS: 13957-35-2
CID: 26348
Formula: C17H21NO2
MW: 271.35
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight271.35
XLogP33.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass271.157228913
Monoisotopic Mass271.157228913
Topological Polar Surface Area66.5 Ų
Heavy Atom Count20
Formal Charge0
Complexity289
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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