152628-01-8 | Methyl 4-(butyrylamino)-3-methyl-5-nitrobenzoate

Packsize	Purity	Availability	Price	Discounted Price
1g	98%	in stock	$25.00	$18.00
5g	98%	in stock	$29.00	$21.00
25g	98%	in stock	$79.00	$56.00

Description

• Catalog Number: AD51518
• Chemical Name: Methyl 4-(butyrylamino)-3-methyl-5-nitrobenzoate
• CAS Number: 152628-01-8
• Molecular Formula: C13H16N2O5
• Molecular Weight: 280.2765
• MDL Number: MFCD08062447
• SMILES: CCCC(=O)Nc1c(C)cc(cc1[N+](=O)[O-])C(=O)OC

Computed Properties

• Complexity: 379
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 20
• Hydrogen Bond Acceptor Count: 5
• Hydrogen Bond Donor Count: 1
• Rotatable Bond Count: 5
• XLogP3: 2.5

Literature

• Methyl 3-amino-4-butanamido-5-methyl-benzoate.

  Acta crystallographica. Section E, Structure reports online 20080601