1206724-39-1 | Ethyl 4-(butylamino)-3-nitrobenzoate

Packsize	Purity	Availability	Price	Discounted Price
1g	98%	in stock	$203.00	$142.00
5g	98%	in stock	$573.00	$402.00
10g	98%	in stock	$946.00	$662.00
25g	98%	in stock	$1,693.00	$1,185.00

Description

• Catalog Number: AI13127
• Chemical Name: Ethyl 4-(butylamino)-3-nitrobenzoate
• CAS Number: 1206724-39-1
• Molecular Formula: C13H18N2O4
• Molecular Weight: 266.293
• MDL Number: MFCD28962778
• SMILES: CCCCNc1ccc(cc1[N+](=O)[O-])C(=O)OCC

Computed Properties

• Complexity: 304
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 19
• Hydrogen Bond Acceptor Count: 5
• Hydrogen Bond Donor Count: 1
• Rotatable Bond Count: 7
• XLogP3: 3.8

Literature

• Ethyl 4-butyl-amino-3-nitro-benzoate.

  Acta crystallographica. Section E, Structure reports online 20090901

• 4-Butyl-amino-3-nitro-benzoic acid.

  Acta crystallographica. Section E, Structure reports online 20090501