200,000+ products from a single source!
sales@angenechem.com
125419-41-2 | 2H-1-Benzopyran-7-amine, N,N-diethyl-4-methyl-2-[(phenylmethyl)imino]-, mono[tetrafluoroborate(1-)] (9CI)
CAS No: 125419-41-2 Catalog No: AG000NOI MDL No:
Product Description
Catalog Number:
AG000NOI
Chemical Name:
2H-1-Benzopyran-7-amine, N,N-diethyl-4-methyl-2-[(phenylmethyl)imino]-, mono[tetrafluoroborate(1-)] (9CI)
CAS Number:
125419-41-2
Molecular Formula:
C21H25N2O+
Molecular Weight:
321.4360
IUPAC Name:
benzyl-[7-(diethylamino)-4-methylchromen-2-ylidene]azanium
InChI:
InChI=1S/C21H24N2O/c1-4-23(5-2)18-11-12-19-16(3)13-21(24-20(19)14-18)22-15-17-9-7-6-8-10-17/h6-14H,4-5,15H2,1-3H3/p+1
InChI Key:
DFYFAKGTYMAJEQ-UHFFFAOYSA-O
SMILES:
CCN(c1ccc2c(c1)[o+]c(cc2C)NCc1ccccc1)CC
Properties
Complexity:
461
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
321.197g/mol
Formal Charge:
1
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
321.444g/mol
Monoisotopic Mass:
321.197g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
26.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.