N-Boc-D-phenylalaninal - ≥95% , CAS No.77119-85-8

CAS: 77119-85-8 Cat. No.: N344659 Summenformel: C₁₄H₁₉NO₃ Molekulargewicht: 249.31 EG-Nummer: 866-847-0

QUALITÄT & REINHEIT ≥95%

Synonyms

(R)-2-BOC-amino-3-PHENYLPROPANAL | I11544 | Z1065768488 | CCG-241973 | DTXSID4064761 | AC-23792 | AKOS005146059 | AMY37816 | ((R)-1-Benzyl-2-oxo-ethyl)-carbamic acid t-butyl ester | (R)-2-(N-t-butoxycarbonylamino)-3-phenyl-propan-1-one | SCHEMBL1094506 |

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Spezifikationen

Synonyme

(R)-2-BOC-amino-3-PHENYLPROPANAL | I11544 | Z1065768488 | CCG-241973 | DTXSID4064761 | AC-23792 | AKOS005146059 | AMY37816 | ((R)-1-Benzyl-2-oxo-ethyl)-carbamic acid t-butyl ester | (R)-2-(N-t-butoxycarbonylamino)-3-phenyl-propan-1-one | SCHEMBL1094506 |

Spezifikationen & Reinheit

≥95%

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥95%

Namen und Kennungen

Pubchem Sid

504764633

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504764633

Kanonisches Lächeln

CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C=O

IUPAC Name

tert-butyl N-[(2R)-1-oxo-3-phenylpropan-2-yl]carbamate

InChIKey

ZJTYRNPLVNMVPQ-GFCCVEGCSA-N

INCHI

1S/C14H19NO3/c1-14(2,3)18-13(17)15-12(10-16)9-11-7-5-4-6-8-11/h4-8,10,12H,9H2,1-3H3,(H,15,17)/t12-/m1/s1

Isomere SMILES

CC(C)(C)OC(=O)N[C@H](CC1=CC=CC=C1)C=O

Molekulargewicht

249.31

Reaxy-Rn

2116718

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2116718&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Phenethylamines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Phenethylamines
• Intermediate Tree Nodes: Not available
• Direct Parent: Amphetamines and derivatives
• Alternative Parents: Carbamate esters Organonitrogen compounds Organic oxides Hydrocarbon derivatives Aldehydes
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Amphetamine or derivatives - Carbamic acid ester - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aldehyde - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as amphetamines and derivatives. These are organic compounds containing or derived from 1-phenylpropan-2-amine.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemische und physikalische Eigenschaften

• Molekulargewicht: 249.300 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 249.136 Da
• Monoisotopic Mass: 249.136 Da
• Topological Polar Surface Area: 55.400 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 277.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1