Balsalazide Impurity 31

CAT: 1596-AR-B06028-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-B06028-01Size:10 Units

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CAS Number

13135-92-7

Molecular Formula

C10H12N2O3

Molecular Weight

208.22

API Name

Balsalazide

Chemical Information

3-(2-Aminobenzamido)propanoic acid

CAS Number	13135-92-7
PubChem CID	13442366
IUPAC Name	3-[(2-aminobenzoyl)amino]propanoic acid
Molecular Formula	C10H12N2O3
Molecular Weight	208.21
XLogP	0.1
Topological Polar Surface Area	92.4
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Heavy Atom Count	15
Formal Charge	0
Complexity	243

SMILES

C1=CC=C(C(=C1)C(=O)NCCC(=O)O)N

InChI

InChI=1S/C10H12N2O3/c11-8-4-2-1-3-7(8)10(15)12-6-5-9(13)14/h1-4H,5-6,11H2,(H,12,15)(H,13,14)

InChIKey

OCZQPOVJWVLQOT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 13135-92-7

CID: 13442366

Formula: C10H12N2O3

MW: 208.21

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	208.21
XLogP3	0.1
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	208.08479225
Monoisotopic Mass	208.08479225
Topological Polar Surface Area	92.4 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	243
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

Catalog	Name
RM-B191204-01	Balsalazide Impurity 4
RM-B191209-01	Balsalazide Impurity 9
RM-B191214-01	Balsalazide Impurity 14
RM-B191206-01	Balsalazide Impurity 6
RM-B191208-01	Balsalazide Impurity 8
RM-B191203-01	Balsalazide Aminobenzoyl Impurity
RM-B191213-01	Balsalazide Impurity 13
RM-B191211-01	Balsalazide Impurity 11
RM-B191207-01	Balsalazide Impurity 7
RM-B191205-01	Balsalazide Impurity 5