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943722-25-6

943722-25-6 | 1H,4H,5H,6H,7H,8H-Imidazo[4,5-d]azepine 2hcl

CAS No: 943722-25-6 Catalog No: AG00II3C MDL No:MFCD28968071

Product Description

Catalog Number:
AG00II3C
Chemical Name:
1H,4H,5H,6H,7H,8H-Imidazo[4,5-d]azepine 2hcl
CAS Number:
943722-25-6
Molecular Formula:
C7H13Cl2N3
Molecular Weight:
210.1042
MDL Number:
MFCD28968071
IUPAC Name:
1,4,5,6,7,8-hexahydroimidazo[4,5-d]azepine;dihydrochloride
InChI:
InChI=1S/C7H11N3.2ClH/c1-3-8-4-2-7-6(1)9-5-10-7;;/h5,8H,1-4H2,(H,9,10);2*1H
InChI Key:
RDKHBRYGUDSOLE-UHFFFAOYSA-N
SMILES:
N1CCc2c(CC1)nc[nH]2.Cl.Cl

Properties

Complexity:
115  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.049g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
210.102g/mol
Monoisotopic Mass:
209.049g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
40.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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