Benzyl (3-bromopropyl)carbamate - ≥97% , CAS No.39945-54-5

CAS: 39945-54-5 Cat. No.: B588996 Peso molecular: 272.14 Número EC: 874-801-6

GRADE & PURITY ≥97%

Synonyms

A824815 | Benzyl 3-bromopropylcarbamate | EN300-7080051 | SCHEMBL431541 | 3-Bromo-N-Cbz-1-propanamine | DTXSID70960460 | AB09886 | 11-NOR-9-CARBOXY-9.DELTA.-TETRAHYDROCANNABINOL | AM20040385 | FT-0699393 | AKOS016007749 | SY047526 | N-(Benzyloxycarbonyl)-

Storage

Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

A824815 | Benzyl 3-bromopropylcarbamate | EN300-7080051 | SCHEMBL431541 | 3-Bromo-N-Cbz-1-propanamine | DTXSID70960460 | AB09886 | 11-NOR-9-CARBOXY-9.DELTA.-TETRAHYDROCANNABINOL | AM20040385 | FT-0699393 | AKOS016007749 | SY047526 | N-(Benzyloxycarbonyl)-

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Store at -20°C, Desiccated

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: C1=CC=C(C=C1)COC(=O)NCCCBr
• IUPAC Name: benzyl N-(3-bromopropyl)carbamate
• InChIKey: QGTWQXTXRILXOV-UHFFFAOYSA-N
• INCHI: 1S/C11H14BrNO2/c12-7-4-8-13-11(14)15-9-10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2,(H,13,14)
• Isómeros SMILES: C1=CC=C(C=C1)COC(=O)NCCCBr
• Número NSC: NSC Number': ['78814
• Peso molecular: 272.14
• Reaxy-Rn: 5009365
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5009365&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Benzyloxycarbonyls

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzyloxycarbonyls
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzyloxycarbonyls
• Alternative Parents: Carbamate esters Organic carbonic acids and derivatives Organopnictogen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl bromides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzyloxycarbonyl - Carbamic acid ester - Carbonic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Carbonyl group - Alkyl halide - Alkyl bromide - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzyloxycarbonyls. These are organic compounds containing a carbonyl group substituted with a benzyloxyl group.
• 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

Propiedades químicas y físicas

• Sensibilidad: Moisture Sensitive
• Peso molecular: 272.140 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 271.021 Da
• Monoisotopic Mass: 271.021 Da
• Topological Polar Surface Area: 38.300 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 181.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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