Home Halogens 7-bromo-N,N-dimethyl-2,3,4,5-tetrahydro-1H-1-benzazepin-3-amine

7-bromo-N,N-dimethyl-2,3,4,5-tetrahydro-1H-1-benzazepin-3-amine

CAS No.:
2031269-43-7
Catalog Number:
AG01B69L
Molecular Formula:
C12H17BrN2
Molecular Weight:
269.1808
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Product Description
Catalog Number:
AG01B69L
Chemical Name:
7-bromo-N,N-dimethyl-2,3,4,5-tetrahydro-1H-1-benzazepin-3-amine
CAS Number:
2031269-43-7
Molecular Formula:
C12H17BrN2
Molecular Weight:
269.1808
MDL Number:
MFCD30344890
IUPAC Name:
7-bromo-N,N-dimethyl-2,3,4,5-tetrahydro-1H-1-benzazepin-3-amine
InChI:
InChI=1S/C12H17BrN2/c1-15(2)11-5-3-9-7-10(13)4-6-12(9)14-8-11/h4,6-7,11,14H,3,5,8H2,1-2H3
InChI Key:
VSPBUBMCKSGMHF-UHFFFAOYSA-N
SMILES:
CN(C1CCc2c(NC1)ccc(c2)Br)C
Properties
Complexity:
208  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.058g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
269.186g/mol
Monoisotopic Mass:
268.058g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
15.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Properties