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Home> Hot Product Listed C   > Carbamic acid, decyl-,ethyl ester (9CI)
411235-57-9 structure

Carbamic acid, decyl-,ethyl ester (9CI)

Iupac Name:cyclopropylboronic acid
CAS No.:411235-57-9
Molecular Weight:85.897
Molecular Formula:C14H21NO5 (isomer)
Names and Identifiers
Synonyms

EthylN-decylcarbamate NSC 407771

Inchi
InChI=1S/C3H7BO2/c5-4(6)3-1-2-3/h3,5-6H,1-2H2
InChkey
WLVKDFJTYKELLQ-UHFFFAOYSA-N
Canonical Smiles
B(C1CC1)(O)O
Properties
Density
1.241
Melting Point
90-95℃
Boiling Point
240.4°Cat760mmHg
Refractive Index
1.442
Safety and Handling
Risk Statements
R22
Safety Statements
26-36
Hazard Note
H302; H318; H360FD
Reach Info
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H315 Causes skin irritation

H319 Causes serious eye irritation

H335 May cause respiratory irritation

Precautionary statement(s)
Prevention

none

Response

none

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:85.897g/mol
  • Molecular Formula:C14H21NO5
  • Compound Is Canonicalized:True
  • Exact Mass:86.054
  • Monoisotopic Mass:86.054
  • Complexity:50.8
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:40.5A^2
  • Heavy Atom Count:6
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADcYJAMAAAAAAAAAAAAAAAGAAAAAAAAAAAAAAAAAAAAAAAAAAoGAAACAAACACAAAAAAAAAAAAA AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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