Phenylcarbamic acid propargyl ester 5416-67-1 CAS NO.5416-67-1

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

Product Details

Keywords

prop-2-ynyl N-phenylcarbamate
Phenylcarbamic acid propargyl ester
5416-67-1

Quick Details

ProName: Phenylcarbamic acid propargyl ester 54...
CasNo: 5416-67-1
Molecular Formula: C10H9NO2
Appearance: Solid
Application: Organic Chemicals
DeliveryTime: as client's demand quantity
PackAge: as requested
Port: SHANGHAI
ProductionCapacity: 10 Kilogram/Month
Purity: 99%
Storage: Room Temperature
Transportation: as requested
LimitNum: 1 Gram
Heavy metal: N/A
Grade: Industrial Grade

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4.Customs Synthesis

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Details

【Name】
Phenylcarbamic acid propargyl ester
【CAS Registry number】
5416-67-1
【Synonyms】
N-Phenylcarbamic acid 2-propynyl ester
Phenylcarbamic acid 2-propynyl ester
Phenylcarbamic acid propargyl ester
【Molecular Formula】
C10H9NO2 (Products with the same molecular formula)
【Molecular Weight】
0
【Inchi】
InChI=1/C10H9NO2/c1-2-8-13-10(12)11-9-6-4-3-5-7-9/h1,3-7H,8H2,(H,11,12)
【Canonical SMILES】
C#CCOC(=O)NC1=CC=CC=C1
【MOL File】
5416-67-1.mol
Chemical and Physical Properties
【Density】
1.202g/cm3
【Boiling Point】
228.2°C at 760 mmHg
【Refractive Index】
1.593
【Flash Point】
91.8°C
【Computed Properties】
Molecular Weight:175.18396 [g/mol]
Molecular Formula:C10H9NO2
XLogP3-AA:1.6
H-Bond Donor:1
H-Bond Acceptor:2
Rotatable Bond Count:3
Tautomer Count:2
Exact Mass:175.063329
MonoIsotopic Mass:175.063329
Topological Polar Surface Area:38.3
Heavy Atom Count:13
Formal Charge:0
Complexity:210
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:1
Feature 3D Donor Count:1
Feature 3D Hydrophobe Count:1
Feature 3D Ring Count:1
Effective Rotor Count:4
Conformer Sampling RMSD:0.6
CID Conformer Count:25

Henan Tianfu Chemical Co., Ltd.