Home Other Building Blocks 2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-7-ol dihydrobromide

2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-7-ol dihydrobromide

CAS No.:
1955499-08-7
Catalog Number:
AG01B2HQ
Molecular Formula:
C9H14Br2N2O
Molecular Weight:
326.0283
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Product Description
Catalog Number:
AG01B2HQ
Chemical Name:
2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-7-ol dihydrobromide
CAS Number:
1955499-08-7
Molecular Formula:
C9H14Br2N2O
Molecular Weight:
326.0283
MDL Number:
MFCD29991614
IUPAC Name:
2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-7-ol;dihydrobromide
InChI:
InChI=1S/C9H12N2O.2BrH/c12-8-1-2-9-7(5-8)6-10-3-4-11-9;;/h1-2,5,10-12H,3-4,6H2;2*1H
InChI Key:
CKIBLPHPDLUVAR-UHFFFAOYSA-N
SMILES:
Oc1ccc2c(c1)CNCCN2.Br.Br
Properties
Complexity:
152  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
325.945g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
5  
Isotope Atom Count:
0
Molecular Weight:
326.032g/mol
Monoisotopic Mass:
323.947g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
44.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties