3,5-Diaminobenzoic Acid 4-(Ethylphenethylamino)Butyl Ester
[CAS# 67293-22-5]

Identification

• Name: 3,5-Diaminobenzoic Acid 4-(Ethylphenethylamino)Butyl Ester
• Synonyms: 3,5-Diaminobenzoic Acid 4-(Ethyl-(2-Phenylethyl)Amino)Butyl Ester; N-Ethyl-N-(4-Hydroxybutyl)Phenethylamine 3,5-Diaminobenzoate; Phenethylamine, N-Ethyl-N-(4-Hydroxybutyl)-, 3,5-Diaminobenzoate (Ester)
• Molecular Formula: C₂₁H₂₉N₃O₂
• Molecular Weight: 355.48
• CAS Registry Number: 67293-22-5
• SMILES: C2=C(C(OCCCCN(CCC1=CC=CC=C1)CC)=O)C=C(N)C=C2N
• InChI: 1S/C21H29N3O2/c1-2-24(12-10-17-8-4-3-5-9-17)11-6-7-13-26-21(25)18-14-19(22)16-20(23)15-18/h3-5,8-9,14-16H,2,6-7,10-13,22-23H2,1H3
• InChIKey: YCINISOGBAEGAM-UHFFFAOYSA-N

Properties

• Density: 1.127g/cm³ (Cal.)
• Boiling point: 547.851°C at 760 mmHg (Cal.)
• Flash point: 285.13°C (Cal.)