RefChem:1052714

bis(N-(1,3-benzodioxol-5-ylmethyl)propan-2-amine);(E)-but-2-enedioic acid

Also Known As: CRL 40599C|N-Isopropyl-piperonylamine fumarate|2-PROPYL-2-ADAMANTANOL|N-Isopropyl-piperonylamine fumarate [French]|1,3-Benzodioxole-5-methanamine, N-(1-methylethyl)-, (E)-2-butenedioate (salt) (1:1)|N-(1-Methylethyl)-1,3-benzodioxole-5-methanamine (E)-2-butenedioate (salt) (1:1)|N-(1,3-benzodioxol-5-ylmethyl)propan-2-amine; (E)-but-2-enedioic acid|N-(benzo[1,3]dioxol-5-ylmethyl)propan-2-amine; but-2-enedioic acid

Molecular Formula	C26H34N2O8
Molecular Weight	502.2315 g/mol
LogP	3.5384
Topological Polar Surface Area	135.58 Ų
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	8
Rotatable Bonds	8
Exact Mass	502.2315
Monoisotopic Mass	502.2315
Heavy Atoms	36
Complexity	955.0994

Chemical Identifiers

CAS Number	72156-41-3
SMILES	CC(C)NCC1=CC2=C(C=C1)OCO2.CC(C)NCC1=CC2=C(C=C1)OCO2.C(=C/C(=O)O)\C(=O)O