isobutyl carbamate ...

isobutyl carbamate 543-28-2

isobutyl carbamate 543-28-2

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1 Gram

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  • Min.Order :1 Gram
  • Purity: 99%
  • Payment Terms : L/C,T/T,

Keywords

Carbamic acid, 2-methylpropyl ester 543-28-2 98%

Quick Details

  • Appearance:Solid
  • Application:Organic Chemicals
  • PackAge:as requested
  • ProductionCapacity:100|Kilogram|Month
  • Storage:room temperature
  • Transportation:as requested

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Details:

【Name】
isobutyl carbamate
【Iupac name】
2-methylpropyl carbamate
【CAS Registry number】
543-28-2
【Synonyms】
Isobutyl carbamate
NSC 31187
Carbamic acid, 2-methylpropyl ester
Carbamic acid, isobutyl ester (8CI)
2-methylpropyl carbamate
【EINECS(EC#)】
208-841-7
【Molecular Formula】
C5H11NO2 (Products with the same molecular formula)
【Molecular Weight】
117.1463
【Inchi】
InChI=1/C5H11NO2/c1-4(2)3-8-5(6)7/h4H,3H2,1-2H3,(H2,6,7)
【InChIKey】
BRUZQRBVNRKLJG-UHFFFAOYSA-N
【Canonical SMILES】
CC(C)COC(=O)N
【MOL File】
543-28-2.mol
Chemical and Physical Properties
【Density】
0.987g/cm3
【Boiling Point】
205.2°C at 760 mmHg
【Refractive Index】
1.427
【Flash Point】
91.8°C
【Computed Properties】
Molecular Weight:117.14634 [g/mol]
Molecular Formula:C5H11NO2
XLogP3:0.6
H-Bond Donor:1
H-Bond Acceptor:2
Rotatable Bond Count:3
Tautomer Count:2
Exact Mass:117.078979
MonoIsotopic Mass:117.078979
Topological Polar Surface Area:52.3
Heavy Atom Count:8
Formal Charge:0
Complexity:80.5
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
Effective Rotor Count:3
Conformer Sampling RMSD:0.6
CID Conformer Count:5

 

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