Lenalidomide Impurity 27

CAT: 1596-AR-L06722-04Size: 100 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-L06722-04Size:100 Units

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CAS Number

18583-89-6

Synonyms

Methyl 3-amino-2-methylbenzoate

Molecular Formula

C9H11NO2

Molecular Weight

165.19

API Name

Lenalidomide

Chemical Information

3-Amino-2-methylbenzoic acid methyl ester

CAS Number	18583-89-6
PubChem CID	3801025
IUPAC Name	methyl 3-amino-2-methylbenzoate
Molecular Formula	C9H11NO2
Molecular Weight	165.19
XLogP	1.5
Topological Polar Surface Area	52.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	12
Formal Charge	0
Complexity	170

SMILES

CC1=C(C=CC=C1N)C(=O)OC

InChI

InChI=1S/C9H11NO2/c1-6-7(9(11)12-2)4-3-5-8(6)10/h3-5H,10H2,1-2H3

InChIKey

ZOOQFAUFPWXUMI-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 18583-89-6

CID: 3801025

Formula: C9H11NO2

MW: 165.19

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	165.19
XLogP3	1.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	165.078978594
Monoisotopic Mass	165.078978594
Topological Polar Surface Area	52.3 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	170
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes