2-amino-4-cyclohexylbutanoic acid 5428-08-0 CAS NO.5428-08-0

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

Product Details

Keywords

N-(4-chloro-2-fluoro-phenyl)-2-[3-(2,3-dimethylphenyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide
5428-08-0
98%

Quick Details

ProName: 2-amino-4-cyclohexylbutanoic acid 542...
CasNo: 5428-08-0
Molecular Formula: C10H19NO2
Appearance: Solid
Application: Organic Chemicals
DeliveryTime: according to 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

【Name】
2-amino-4-cyclohexylbutanoic acid
【CAS Registry number】
5428-08-0
【Synonyms】
T0518-6822
AC1M7DPS
Oprea1_256893
ZINC03348605
N-(4-chloro-2-fluorophenyl)-2-[3-(2,3-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
【Molecular Formula】
C10H19NO2 (Products with the same molecular formula)
【Molecular Weight】
185.2634
【Inchi】
InChI=1/C10H19NO2/c11-9(10(12)13)7-6-8-4-2-1-3-5-8/h8-9H,1-7,11H2,(H,12,13)
【Canonical SMILES】
CC1=C(C(=CC=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=C(C=C(C=C4)Cl)F)C
【MOL File】
5428-08-0.mol
Chemical and Physical Properties
【Density】
1.054g/cm3
【Boiling Point】
321.4°C at 760 mmHg
【Refractive Index】
1.495
【Flash Point】
148.2°C
【Computed Properties】
Molecular Weight:467.942963 [g/mol]
Molecular Formula:C24H19ClFN3O2S
XLogP3-AA:5.7
H-Bond Donor:1
H-Bond Acceptor:5
Rotatable Bond Count:5
Tautomer Count:3
Exact Mass:467.087053
MonoIsotopic Mass:467.087053
Topological Polar Surface Area:87.1
Heavy Atom Count:32
Formal Charge:0
Complexity:738
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 Ring Count:4
Effective Rotor Count:6
Conformer Sampling RMSD:0.8

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