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Home> Hot Product Listed N   > N-Benzyloxycarbonyl-L-asparagine
2304-96-3 structure

N-Benzyloxycarbonyl-L-asparagine

Iupac Name:(2S)-4-amino-4-oxo-2-(phenylmethoxycarbonylamino)butanoic acid
CAS No.:2304-96-3
EINECS(EC#): 218-969-5
Molecular Weight:266.25
Molecular Formula:C12H14N2O5 (isomer)
Names and Identifiers
Synonyms

N2-[(PHENYLMETHOXY)CARBONYL]-L-ASPARAGINE N-ALPHA-BENZYLOXYCARBONYL-L-ASPARAGINE N-CBZ-L-ASPARAGINE N-CBZ-L-ASPARAGINE-OH Z-ASN-OH Z-ASPARAGINE Z-L-ASN-OH Z-L-ASPARAGINE

Inchi
InChI=1S/C12H14N2O5/c13-10(15)6-9(11(16)17)14-12(18)19-7-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H2,13,15)(H,14,18)(H,16,17)/t9-/m0/s1
InChkey
FUCKRCGERFLLHP-VIFPVBQESA-N
Canonical Smiles
C1=CC=C(C=C1)COC(=O)NC(CC(=O)N)C(=O)O
Properties
Appearance
White solid.
Density
1.2846 (rough estimate)
Melting Point
163-165 °C(lit.)
Boiling Point
409.45°C (rough estimate)
Vapour
2.54E-14mmHg at 25°C
Refractive Index
6.3 ° (C=1.6, AcOH)
Flash Point
304.9°C
Alpha
6.5 o (C=2, CH3COOH)
Stability
Stable under normal temperatures and pressures.
Storage temp
0-6°C
Safety and Handling
Hazard Codes
Xi,Xn
Risk Statements
20/21/22-36/37/38
Safety Statements
24/25-36-26
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) No symbol.
Signal word

No signal word.

Hazard statement(s)

none

Precautionary statement(s)
Prevention

none

Response

none

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

Precursor and Product
Computational chemical data
  • Molecular Weight:266.25g/mol
  • Molecular Formula:C12H14N2O5
  • Compound Is Canonicalized:True
  • Exact Mass:266.09
  • Monoisotopic Mass:266.09
  • Complexity:339
  • Rotatable Bond Count:7
  • Hydrogen Bond Donor Count:3
  • Hydrogen Bond Acceptor Count:5
  • Topological Polar Surface Area:119A^2
  • Heavy Atom Count:19
  • Defined Atom Stereocenter Count:1
  • 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: AAADccBzOAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAHgAQCAAADCjhmAYwCILABgCI AiHSGAACAAAgAAAIiIGICIkKJjqA8TiMcAAk1gEYqAenwCAOAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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Recommended Suppliers
  • Tel:86-571-88938639
  • Fax:86-571-88938652
  • Tel:+86-0592-5567629
  • Fax:+86-0592-5567629
  • Tel:86-571-85829152
  • Fax:86-571-85829153
  • Tel:86-371-86658258
  • Fax:86-371-86658258
  • Tel:86-571-87396430
  • Fax:86-571-87396431
  • Tel:+86-025-58535435
  • Fax:
  • Tel:86-312-18103315327
  • Fax:86-312-18103315327
  • Tel:86-27-87465837
  • Fax:86-27-87772287
  • Tel:0086-531-58773055
  • Fax:0086-531-58773066
  • Tel:86-21-61723543
  • Fax:86-21-33250189
 
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