(3-aminopropil)carbamato de bencilo - ≥95% , CAS No.46460-73-5

CAS: 46460-73-5 Cat. No.: B193497 Peso molecular: 208.26

GRADE & PURITY ≥95%

Synonyms

SB78310 | Benzyl (3-aminopropyl)carbamate | SCHEMBL615296 | N-(benzyloxycarbonyl)-1,3-propanediamine | 4-Propylcyclohexanecarboxylicacid | Carbamic acid, (3-aminopropyl)-, phenylmethyl ester | Z-1,3-DIAMINOPROPANE.HCL | AB8106 | MFCD02094511 | SY032068 |

Storage

Protected from light,Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

SB78310 | Benzyl (3-aminopropyl)carbamate | SCHEMBL615296 | N-(benzyloxycarbonyl)-1, 3-propanediamine | 4-Propylcyclohexanecarboxylicacid | Carbamic acid, (3-aminopropyl)-, phenylmethyl ester | Z-1, 3-DIAMINOPROPANE.HCL | AB8106 | MFCD02094511 | SY032068 |

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Protected from light, Store at -20°C, Argon charged

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

≥95%

Nombres e identificadores

• Sonrisas canónicas: C1=CC=C(C=C1)COC(=O)NCCCN
• IUPAC Name: benzyl N-(3-aminopropyl)carbamate
• InChIKey: JXWABCYGGVHAHB-UHFFFAOYSA-N
• INCHI: 1S/C11H16N2O2/c12-7-4-8-13-11(14)15-9-10-5-2-1-3-6-10/h1-3,5-6H,4,7-9,12H2,(H,13,14)
• Isómeros SMILES: C1=CC=C(C=C1)COC(=O)NCCCN
• Peso molecular: 208.26
• Reaxy-Rn: 1966353
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1966353&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 Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
• 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 - Primary amine - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Carbonyl group - Amine - 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

• Peso molecular: 208.260 g/mol
• XLogP3: 0.900
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 208.121 Da
• Monoisotopic Mass: 208.121 Da
• Topological Polar Surface Area: 64.400 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 179.000
• 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