Home Other Building Blocks 2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one hydrochloride

2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one hydrochloride

CAS No.:
1364122-92-8
Catalog Number:
AG01B2GC
Molecular Formula:
C9H11ClN2O
Molecular Weight:
198.6494
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Product Description
Catalog Number:
AG01B2GC
Chemical Name:
2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one hydrochloride
CAS Number:
1364122-92-8
Molecular Formula:
C9H11ClN2O
Molecular Weight:
198.6494
MDL Number:
MFCD03788090
IUPAC Name:
1,3,4,5-tetrahydro-1,4-benzodiazepin-2-one;hydrochloride
InChI:
InChI=1S/C9H10N2O.ClH/c12-9-6-10-5-7-3-1-2-4-8(7)11-9;/h1-4,10H,5-6H2,(H,11,12);1H
InChI Key:
LJZZFIJKMNPSRM-UHFFFAOYSA-N
SMILES:
O=C1CNCc2c(N1)cccc2.Cl
Properties
Complexity:
181  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.056g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
198.65g/mol
Monoisotopic Mass:
198.056g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties