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

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

CAS No.:
2060037-08-1
Catalog Number:
AG01BYMY
Molecular Formula:
C9H17Cl2N3
Molecular Weight:
238.1574
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Product Description
Catalog Number:
AG01BYMY
Chemical Name:
7,7-dimethyl-1H,4H,5H,6H,7H,8H-pyrazolo[4,3-c]azepine dihydrochloride
CAS Number:
2060037-08-1
Molecular Formula:
C9H17Cl2N3
Molecular Weight:
238.1574
MDL Number:
MFCD30497740
IUPAC Name:
7,7-dimethyl-4,5,6,8-tetrahydro-1H-pyrazolo[4,3-c]azepine;dihydrochloride
InChI:
InChI=1S/C9H15N3.2ClH/c1-9(2)3-8-7(4-10-6-9)5-11-12-8;;/h5,10H,3-4,6H2,1-2H3,(H,11,12);2*1H
InChI Key:
RDBDJMKBTQMAJN-UHFFFAOYSA-N
SMILES:
CC1(C)CNCc2c(C1)[nH]nc2.Cl.Cl
Properties
Complexity:
167  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.08g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
238.156g/mol
Monoisotopic Mass:
237.08g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
40.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties