Home Other Building Blocks 7,7-dimethyl-1-phenyl-1H,4H,5H,6H,7H,8H-pyrazolo[4,3-c]azepine dihydrochloride

7,7-dimethyl-1-phenyl-1H,4H,5H,6H,7H,8H-pyrazolo[4,3-c]azepine dihydrochloride

CAS No.:
2060036-05-5
Catalog Number:
AG01C00Y
Molecular Formula:
C15H21Cl2N3
Molecular Weight:
314.2533
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01C00Y
Chemical Name:
7,7-dimethyl-1-phenyl-1H,4H,5H,6H,7H,8H-pyrazolo[4,3-c]azepine dihydrochloride
CAS Number:
2060036-05-5
Molecular Formula:
C15H21Cl2N3
Molecular Weight:
314.2533
MDL Number:
MFCD30497765
IUPAC Name:
7,7-dimethyl-1-phenyl-4,5,6,8-tetrahydropyrazolo[4,3-c]azepine;dihydrochloride
InChI:
InChI=1S/C15H19N3.2ClH/c1-15(2)8-14-12(9-16-11-15)10-17-18(14)13-6-4-3-5-7-13;;/h3-7,10,16H,8-9,11H2,1-2H3;2*1H
InChI Key:
NOFCBWWKJMAUJI-UHFFFAOYSA-N
SMILES:
CC1(C)CNCc2c(C1)n(nc2)c1ccccc1.Cl.Cl
Properties
Complexity:
284  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.111g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
314.254g/mol
Monoisotopic Mass:
313.111g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
29.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties