Name: Name:Methyl 3-amino-4-butyramido-5-methylbenzoate
Brand: Angene
SKU: AG005ZER
Rating: 90 (10 reviews)

Methyl 3-amino-4-butyramido-5-methylbenzoate

CAS No.:

675882-71-0

Catalog Number:

AG005ZER

Molecular Formula:

C13H18N2O3

Molecular Weight:

250.2936

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Product Description

Catalog Number:

AG005ZER

Chemical Name:

Methyl 3-amino-4-butyramido-5-methylbenzoate

CAS Number:

675882-71-0

Molecular Formula:

C13H18N2O3

Molecular Weight:

250.2936

MDL Number:

MFCD09033170

IUPAC Name:

methyl 3-amino-4-(butanoylamino)-5-methylbenzoate

InChI:

InChI=1S/C13H18N2O3/c1-4-5-11(16)15-12-8(2)6-9(7-10(12)14)13(17)18-3/h6-7H,4-5,14H2,1-3H3,(H,15,16)

InChI Key:

UITANFWKOFOWHF-UHFFFAOYSA-N

SMILES:

CCCC(=O)Nc1c(C)cc(cc1N)C(=O)OC

EC Number:

614-084-7

Properties

Complexity:

307

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

250.132g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

250.298g/mol

Monoisotopic Mass:

250.132g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

81.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.5

Literature

Title	Journal
4-Methyl-2-n-propyl-1H-benzimidazole-6-carboxylic acid.	Acta crystallographica. Section E, Structure reports online 20090201
Methyl 3-amino-4-butanamido-5-methyl-benzoate.	Acta crystallographica. Section E, Structure reports online 20080601

Properties