CAS 103343-47-1 3-Amino-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one (HCID 4259649)

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Basic information

CAS: 103343-47-1
Standard SMILES: NC1N=C(c2ccccc2)c2ccccc2NC1=O
InChIKey: GLUWBSPUUGLXCW-UHFFFAOYSA-N
Molecular formula: C15H13N3O
Average molar mass: 251.28 g/mol
Monoisotopic mass: 251.10586204

Names & identifiers

Preferred name: 3-Amino-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
IUPAC: 3-amino-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
English name: 3-AMINO-5-PHENYL-1,3-DIHYDRO-2H-1,4-BENZODIAZEPIN-2-ONE
Molecular formula: C15H13N3O
Molecular weight: 251.28

Names & synonyms

103343-47-13-amino-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one8AHA6SN6LL2H-1,4-Benzodiazepin-2-one, 3-amino-1,3-dihydro-5-phenyl-RefChem:10673193-Amino-5-phenyl-1H-benzo[e][1,4]diazepin-2(3H)-one3-Amino-5-phenyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one3-AMINO-5-PHENYL-1,3-DIHYDRO-BENZO[E][1,4]DIAZEPIN-2-ONEMFCD013182603-AMINO-1,3-DIHYDRO-5-PHENYL-2H-1,4-BENZODIAZEPIN-2-ONECHEMBL3063963-Amino-5-phenyl-1,3-dihydro-benzo(E)(1,4)diazepin-2-one

Show more names

3-AMINO-1,3-DIHYDRO-5-PHENYL-2H-1,4-BEZODIAZEPIN-2-ONE2H-1,4-Benzodiazepin-2-one, 3-amino-1,3-dihydro-5-phenyl-, (±)-

3-amino-5-phenyl-1,3-dihydro-2H-benzo[e][1,4]diazepin-2-oneUNII-8AHA6SN6LLSCHEMBL642305SCHEMBL4704741(-)-(3S)-3-Amino-5-phenyl-1,3-dihydro-2H-1,4-benzodiazepin-2-oneDTXSID50401326GLUWBSPUUGLXCW-UHFFFAOYSA-NCS-M3233

Database identifiers

CAS: 103343-47-1

Properties

Computed structural properties

XLogP: 1.5
Topological polar surface area: 67.5 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 19
Formal charge: 0
Complexity: 374

Physicochemical properties

Boiling point: 456.7 · 456.7±45.0 °C(Predicted)
Density: 1.3 · 1.30±0.1 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
pka: 12.14 · 12.14±0.70(Predicted)
Appearance: White to light yellow Solid
FDA UNII: 8 AHA6SN6LL · 8AHA6SN6LL
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338

Safety & regulation

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302-H315-H319-H335
Precautionary statements: P261-P305+P351+P338

Chemistry & industry

Suppliers35 total

上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

郑州汇聚化工有限公司13393710386 · [email protected]

北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]

杰达维（上海）医药科技发展有限公司/J & W PharmLab021-64340559 · [email protected]

Related reactions

47 records

New reaction record

HRID 100259As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 147097As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 182599As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 194810As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 199537As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 258089As productuspto-grants-1993_11

HRID 283171As productTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 283935As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

Compound notes

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