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1159-80-4 | 5H-Dibenz[b,f]azepine-5-propanamine, N,N,β-trimethyl-, hydrochloride (1:1)
CAS No: 1159-80-4 Catalog No: AG000H35 MDL No:
Product Description
Catalog Number:
AG000H35
Chemical Name:
5H-Dibenz[b,f]azepine-5-propanamine, N,N,β-trimethyl-, hydrochloride (1:1)
CAS Number:
1159-80-4
Molecular Formula:
C20H25ClN2
Molecular Weight:
328.8789
IUPAC Name:
3-benzo[b][1]benzazepin-11-yl-N,N,2-trimethylpropan-1-amine;hydrochloride
InChI:
InChI=1S/C20H24N2.ClH/c1-16(14-21(2)3)15-22-19-10-6-4-8-17(19)12-13-18-9-5-7-11-20(18)22;/h4-13,16H,14-15H2,1-3H3;1H
InChI Key:
XDWNTULJQAJLQV-UHFFFAOYSA-N
SMILES:
CN(CC(CN1c2ccccc2C=Cc2c1cccc2)C)C.Cl
Properties
Complexity:
350
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
328.171g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
328.884g/mol
Monoisotopic Mass:
328.171g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
6.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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