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Home > Imidazoles > 1609400-98-7
1609400-98-7 | 6,7,8,9-tetrahydro-5H-imidazo[1,5-a][1,4]diazepine dihydrochloride
CAS No: 1609400-98-7 Catalog No: AG00J2AT MDL No:MFCD26959387
Product Description
Catalog Number:
AG00J2AT
Chemical Name:
6,7,8,9-tetrahydro-5H-imidazo[1,5-a][1,4]diazepine dihydrochloride
CAS Number:
1609400-98-7
Molecular Formula:
C7H13Cl2N3
Molecular Weight:
210.1042
MDL Number:
MFCD26959387
IUPAC Name:
6,7,8,9-tetrahydro-5H-imidazo[1,5-a][1,4]diazepine;dihydrochloride
InChI:
InChI=1S/C7H11N3.2ClH/c1-2-8-4-7-5-9-6-10(7)3-1;;/h5-6,8H,1-4H2;2*1H
InChI Key:
PHBFZCHUXGLZJZ-UHFFFAOYSA-N
SMILES:
C1NCc2n(CC1)cnc2.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:
3
Isotope Atom Count:
0
Molecular Weight:
210.102g/mol
Monoisotopic Mass:
209.049g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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