- Product Details
Keywords
- 2-phenyl-3-azabicyclo[5.4.0]undeca-5,7,9,11-tetraene
- 1-phenyl-2,3-dihydro-1H-2-benzazepine
- 52179-53-0
Quick Details
- ProName: 1-phenyl-2,3-dihydro-1H-2-benzazepine ...
- CasNo: 52179-53-0
- Molecular Formula: C16H15N
- Appearance: Liquid
- Application: Organic Chemicals
- DeliveryTime: as client's demand quantity
- PackAge: As requested
- Port: SHANGHAI
- ProductionCapacity: 100 Kilogram/Month
- Purity: 98% min
- Storage: Room Temperature
- Transportation: as requested
- LimitNum: 1 Gram
- Heavy metal: N/A
- Grade: Industrial Grade
Superiority
Details
Identification and Related Records
【Name】
1-phenyl-2,3-dihydro-1H-2-benzazepine
【Iupac name】
1-phenyl-2,3-dihydro-1H-2-benzazepine
【CAS Registry number】
52179-53-0
【Synonyms】
NSC255295
AC1L7YEY
NSC-255295
1-phenyl-2,3-dihydro-1H-2-benzazepine
52179-53-0
【Molecular Formula】
C16H15N (Products with the same molecular formula)
【Molecular Weight】
221.297
【Inchi】
InChI=1/C16H15N/c1-2-8-14(9-3-1)16-15-11-5-4-7-13(15)10-6-12-17-16/h1-11,16-17H,12H2
【Canonical SMILES】
C1C=CC2=CC=CC=C2C(N1)C3=CC=CC=C3
【MOL File】
52179-53-0.mol
Chemical and Physical Properties
【Density】
1.066g/cm3
【Boiling Point】
378.1°C at 760 mmHg
【Refractive Index】
1.594
【Flash Point】
195.6°C
【Computed Properties】
Molecular Weight:221.297 [g/mol]
Molecular Formula:C16H15N
XLogP3-AA:3.3
H-Bond Donor:1
H-Bond Acceptor:1
Rotatable Bond Count:1
Exact Mass:221.120449
MonoIsotopic Mass:221.120449
Topological Polar Surface Area:12
Heavy Atom Count:17
Formal Charge:0
Complexity:265
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:1
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Donor Count:1
Feature 3D Cation Count:1
Feature 3D Ring Count:3
Effective Rotor Count:1.6
Conformer Sampling RMSD:0.6
CID Conformer Count:7