3,5-Dinitrobenzyl-N-(propyl)amine hydrochloride

• CAS: 127312-05-4
• Catalog Number: ACM127312054
• Category: Other Products; Amine Salts
• Molecular Weight: 275.69
• Molecular Formula: C₁₀H₁₄ClN₃O₄
• Synonyms: 127312-05-4, 3,5-DINITROBENZYL-N-(PROPYL)AMINE HYDROCHLORIDE, DNBPA, AK-56069, 3,5-Dinitro-N-propylbenzamide hydrochloride
• IUPAC Name: 3,5-dinitro-N-propylbenzamide;hydrochloride
• Canonical SMILES: CCCNC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-].Cl
• InChI Key: HVOKZJCNBLTMRL-UHFFFAOYSA-N
• Exact Mass: 289.04700
• Hazard Statements: Xi: Irritant
• H-Bond Acceptor: 5
• H-Bond Donor: 2
• RIDADR: NONH for all modes of transport
• Safety Description: 26-36
• Symbol: GHS07
• UN Number: 3014

Custom Q&A

What is the molecular formula of 3,5-Dinitrobenzyl-N-(propyl)amine hydrochloride?

The molecular formula is C10H14ClN3O4.

What is the molecular weight of 3,5-Dinitrobenzyl-N-(propyl)amine hydrochloride?

The molecular weight is 275.69 g/mol.

What is the IUPAC name of 3,5-Dinitrobenzyl-N-(propyl)amine hydrochloride?

The IUPAC name is N-[(3,5-dinitrophenyl)methyl]propan-1-amine; hydrochloride.

What is the InChI of 3,5-Dinitrobenzyl-N-(propyl)amine hydrochloride?

The InChI is InChI=1S/C10H13N3O4.ClH/c1-2-3-11-7-8-4-9(12(14)15)6-10(5-8)13(16)17;/h4-6,11H,2-3,7H2,1H3;1H.

What is the InChIKey of 3,5-Dinitrobenzyl-N-(propyl)amine hydrochloride?

The InChIKey is IETVGEWQBGVEJQ-UHFFFAOYSA-N.

What is the Canonical SMILES of 3,5-Dinitrobenzyl-N-(propyl)amine hydrochloride?

The Canonical SMILES is CCCNCC1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-].Cl.

What is the CAS number of 3,5-Dinitrobenzyl-N-(propyl)amine hydrochloride?

The CAS number is 127312-05-4.

What is the European Community (EC) number of 3,5-Dinitrobenzyl-N-(propyl)amine hydrochloride?

The European Community (EC) number is 634-183-9.

What is the hydrogen bond donor count of 3,5-Dinitrobenzyl-N-(propyl)amine hydrochloride?

The hydrogen bond donor count is 2.

What is the hydrogen bond acceptor count of 3,5-Dinitrobenzyl-N-(propyl)amine hydrochloride?

The hydrogen bond acceptor count is 5.