Bencyclane Fumarate
[CAS# 14286-84-1]

Identification

• Name: Bencyclane Fumarate
• Synonyms: But-2-Enedioic Acid; N,N-Dimethyl-3-[1-(Phenylmethyl)Cycloheptoxy]Propan-1-Amine; 3-[1-(Benzyl)Cycloheptoxy]Propyl-Dimethyl-Amine; But-2-Enedioic Acid; But-2-Enedioic Acid; N,N-Dimethyl-3-[1-(Phenylmethyl)Cycloheptyl]Oxy-Propan-1-Amine
• Molecular Formula: C₂₃H₃₅NO₅
• Molecular Weight: 405.53
• CAS Registry Number: 14286-84-1
• EINECS: 238-204-9
• SMILES: C2=C(CC1(OCCCN(C)C)CCCCCC1)C=CC=C2.O=C(O)\C=C\C(=O)O
• InChI: 1S/C19H31NO.C4H4O4/c1-20(2)15-10-16-21-19(13-8-3-4-9-14-19)17-18-11-6-5-7-12-18;5-3(6)1-2-4(7)8/h5-7,11-12H,3-4,8-10,13-17H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+
• InChIKey: LSTKNZAMFRGXCG-WLHGVMLRSA-N

Properties

• Boiling point: 384.2°C at 760 mmHg (Cal.)
• Flash point: 113.2°C (Cal.)