5H-Dibenz[b,f]azepine-5-propanamine, 10,11-dihydro-N,N,b-trimethyl-,(2Z)-2-butenedioate (1:1)


Chemical Name: 5H-Dibenz[b,f]azepine-5-propanamine, 10,11-dihydro-N,N,b-trimethyl-,(2Z)-2-butenedioate (1:1)
CAS Number: 521-78-8
Product Number: AG003V4U(AGN-PC-0SCAON)
Synonyms:
MDL No:
Molecular Formula: C24H30N2O4
Molecular Weight: 410.5060

Identification/Properties


Properties
MP:
140-142°C
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
410.514g/mol
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
6
Exact Mass:
410.221g/mol
Monoisotopic Mass:
410.221g/mol
Topological Polar Surface Area:
81.1A^2
Heavy Atom Count:
30
Formal Charge:
0
Complexity:
436
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
2
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Danger
UN#:
2811
Hazard Statements:
H302-H315-H319-H335-H361
Precautionary Statements:
P280-P301+P312+P330-P305+P351+P338
Class:
6.1
Packing Group:

NMR Spectrum


Other Analytical Data


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