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

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

CAS No.:
1955493-03-4
Catalog Number:
AG01B5LP
Molecular Formula:
C10H13ClN2O
Molecular Weight:
212.6760
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Product Description
Catalog Number:
AG01B5LP
Chemical Name:
3-methyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one hydrochloride
CAS Number:
1955493-03-4
Molecular Formula:
C10H13ClN2O
Molecular Weight:
212.6760
MDL Number:
MFCD30181134
IUPAC Name:
3-methyl-1,3,4,5-tetrahydro-1,4-benzodiazepin-2-one;hydrochloride
InChI:
InChI=1S/C10H12N2O.ClH/c1-7-10(13)12-9-5-3-2-4-8(9)6-11-7;/h2-5,7,11H,6H2,1H3,(H,12,13);1H
InChI Key:
KGQSWHUCQQBNAQ-UHFFFAOYSA-N
SMILES:
O=C1Nc2ccccc2CNC1C.Cl
Properties
Complexity:
205  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.072g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
212.677g/mol
Monoisotopic Mass:
212.072g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties