2-(3-methylisoquinolin-2(3H)-yl)-1-phenylethanol 5335-43-3 CAS NO.5335-43-3

Min.Order: 1 Gram
Payment Terms: L/C,T/T,

Product Details

Keywords

2-(3-methyl-3H-isoquinolin-2-yl)-1-phenyl-ethanol
5335-43-3
98%

Quick Details

ProName: 2-(3-methylisoquinolin-2(3H)-yl)-1-phe...
CasNo: 5335-43-3
Molecular Formula: C18H19NO
Appearance: Solid
Application: Organic Chemicals
DeliveryTime: As client's demand quantity
PackAge: as requested
Port: SHANGHAI
ProductionCapacity: 100 Kilogram/Month
Purity: 99%
Storage: room temperature
Transportation: as requested
LimitNum: 1 Gram
Heavy metal: N/A
Grade: Industrial Grade

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Details

Identification and Related Records
【Name】
2-(3-methylisoquinolin-2(3H)-yl)-1-phenylethanol
【CAS Registry number】
5335-43-3
【Synonyms】
2-iodo-N-(3-methoxyphenyl)benzamide
AG-690/09446014
ZINC00725613
AC1LKS7L
Oprea1_573203
MolPort-002-145-207
STK201929
AKOS001604818
EU-0069645
【Molecular Formula】
C18H19NO (Products with the same molecular formula)
【Molecular Weight】
265.3496
【Inchi】
InChI=1/C18H19NO/c1-14-11-16-9-5-6-10-17(16)12-19(14)13-18(20)15-7-3-2-4-8-15/h2-12,14,18,20H,13H2,1H3
【Canonical SMILES】
COC1=CC=CC(=C1)NC(=O)C2=CC=CC=C2I
【MOL File】
5335-43-3.mol
Chemical and Physical Properties
【Density】
1.16g/cm3
【Boiling Point】
530.3°C at 760 mmHg
【Refractive Index】
1.648
【Flash Point】
311.5°C
【Computed Properties】
Molecular Weight:353.15505 [g/mol]
Molecular Formula:C14H12INO2
XLogP3:3.1
H-Bond Donor:1
H-Bond Acceptor:2
Rotatable Bond Count:3
Tautomer Count:2
Exact Mass:352.991272
MonoIsotopic Mass:352.991272
Topological Polar Surface Area:38.3
Heavy Atom Count:18
Formal Charge:0
Complexity:285
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:2
Feature 3D Donor Count:1
Feature 3D Hydrophobe Count:1
Feature 3D Ring Count:2
Effective Rotor Count:4
Conformer Sampling RMSD:0.6
CID Conformer Count:24

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