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1225373-40-9 | 1H-1-Benzazepin-5-amine, 2,3,4,5-tetrahydro-N,N-dimethyl-, hydrochloride (1:1)
CAS No: 1225373-40-9 Catalog No: AG0017FF MDL No:
Product Description
Catalog Number:
AG0017FF
Chemical Name:
1H-1-Benzazepin-5-amine, 2,3,4,5-tetrahydro-N,N-dimethyl-, hydrochloride (1:1)
CAS Number:
1225373-40-9
Molecular Formula:
C12H19ClN2
Molecular Weight:
226.7457
IUPAC Name:
N,N-dimethyl-2,3,4,5-tetrahydro-1H-1-benzazepin-5-amine;hydrochloride
InChI:
InChI=1S/C12H18N2.ClH/c1-14(2)12-8-5-9-13-11-7-4-3-6-10(11)12;/h3-4,6-7,12-13H,5,8-9H2,1-2H3;1H
InChI Key:
IMYLBMVQCREXIK-UHFFFAOYSA-N
SMILES:
CN(C1CCCNc2c1cccc2)C.Cl
Properties
Complexity:
179
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.124g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
226.748g/mol
Monoisotopic Mass:
226.124g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
15.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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