2-cycloheptylideneacetamide(CAS No. 5452-66-4) CAS NO.5452-66-4

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Product Details

Keywords

2-cycloheptylideneacetamide
5452-66-4
98%

Quick Details

ProName: 2-cycloheptylideneacetamide(CAS No. 54...
CasNo: 5452-66-4
Molecular Formula: C9H15NO
Appearance: Solid
Application: Organic Chemicals
DeliveryTime: according to client's demand quantity
PackAge: as requested
Port: SHANGHAI
ProductionCapacity: 1 Metric Ton/Month
Purity: 99%
Storage: room temperature
Transportation: as requested
LimitNum: 1 Kilogram
Grade: Industrial Grade

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Details

【Name】
2-cycloheptylideneacetamide
【Iupac name】
2-cycloheptylideneacetamide
【CAS Registry number】
5452-66-4
【Synonyms】
2-cycloheptylideneacetamide
5452-66-4
NSC18968
AC1L5FGR
AC1Q5BKP
AR-1E0921
NSC-18968
AG-K-93868
.DELTA.1,.alpha.-Cycloheptaneacetamide
【Molecular Formula】
C9H15NO (Products with the same molecular formula)
【Molecular Weight】
153.2215
【Inchi】
InChI=1/C9H15NO/c10-9(11)7-8-5-3-1-2-4-6-8/h7H,1-6H2,(H2,10,11)
【Canonical SMILES】
C1CCCC(=CC(=O)N)CC1
【MOL File】
5452-66-4.mol
Chemical and Physical Properties
【Density】
1.077g/cm3
【Boiling Point】
326.7°C at 760 mmHg
【Refractive Index】
1.571
【Flash Point】
151.4°C
【Computed Properties】
Molecular Weight:153.2215 [g/mol]
Molecular Formula:C9H15NO
XLogP3-AA:1.7
H-Bond Donor:1
H-Bond Acceptor:1
Rotatable Bond Count:1
Tautomer Count:2
Exact Mass:153.115364
MonoIsotopic Mass:153.115364
Topological Polar Surface Area:43.1
Heavy Atom Count:11
Formal Charge:0
Complexity:162
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 Ring Count:1
Effective Rotor Count:2.2
Conformer Sampling RMSD:0.6
CID Conformer Count:11

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