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

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

CAS: 54028-76-1

Formula: C10H12N2O

SMILES: CC1CNC2=CC=CC=C2NC1=O

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

InChI: InChI=1/C10H12N2O/c1-7-6-11-8-4-2-3-5-9(8)12-10(7)13/h2-5,7,11H,6H2,1H3,(H,12,13)

Composition: C (68.16%), H (6.86%), N (15.90%), O (9.08%)

Molar Mass: 176.219

Atom Count: 25

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 176.094963014
Formal Charge 0
FSP3 0.3
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 2
InChIKey NSAVOLZYPAFSLW-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 53.83
Topological Polar Surface Area 41.13
Polarizability 19.3
Ring Count 2
Rotatable Bond Count 0

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Purity LeadTime CAS PacketSize UnitPrice
95% <7 Days 54028-76-1 $54.45-$575.19$54.45$83.16$123.75$268.29$396.00$575.19
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