3-(Fmoc-amino)propyl bromide - ≥97%(HPLC) , CAS No.186663-83-2

CAS: 186663-83-2 Cat. No.: F168145 Molecular Weight: 360.25

GRADE & PURITY ≥97%(HPLC)

Synonyms

SCHEMBL7338781 | 3-(Fmoc-amino)propyl bromide | 3-(fmoc amino)propyl bromide | DTXSID00584956 | C18H18BrNO2 | 9H-fluoren-9-ylmethyl N-(3-bromopropyl)carbamate | A880622 | (9H-Fluoren-9-yl)methyl (3-bromopropyl)carbamate | MFCD06411708 | AM9989 | 3-(Fmoc-a

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

SCHEMBL7338781 | 3-(Fmoc-amino)propyl bromide | 3-(fmoc amino)propyl bromide | DTXSID00584956 | C18H18BrNO2 | 9H-fluoren-9-ylmethyl N-(3-bromopropyl)carbamate | A880622 | (9H-Fluoren-9-yl)methyl (3-bromopropyl)carbamate | MFCD06411708 | AM9989 | 3-(Fmoc-a

Specifications & Purity

≥97%(HPLC)

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%(HPLC)

Names and Identifiers

• Pubchem Sid: 488199311
• Canonical Smiles: C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NCCCBr
• IUPAC Name: 9H-fluoren-9-ylmethyl N-(3-bromopropyl)carbamate
• InChIKey: XWBHEIFHCNVXPS-UHFFFAOYSA-N
• INCHI: 1S/C18H18BrNO2/c19-10-5-11-20-18(21)22-12-17-15-8-3-1-6-13(15)14-7-2-4-9-16(14)17/h1-4,6-9,17H,5,10-12H2,(H,20,21)
• Isomeric SMILES: C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NCCCBr
• WGK Germany: 3
• Molecular Weight: 360.25
• Reaxy-Rn: 10179870
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10179870&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Fluorenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Fluorenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Fluorenes
• 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 homopolycyclic compounds
• Substituents: Fluorene - Carbamic acid ester - Carbonic acid derivative - Alkyl bromide - Organic oxide - Hydrocarbon derivative - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Alkyl halide - Aromatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as fluorenes. These are compounds containing a fluorene moiety, which consists of two benzene rings connected through either a cyclopentane, cyclopentene, or cyclopenta-1,3-diene.
• 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

Chemical and Physical Properties

• Melt Point(°C): 99-105 °C
• Molecular Weight: 360.200 g/mol
• XLogP3: 4.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 359.052 Da
• Monoisotopic Mass: 359.052 Da
• Topological Polar Surface Area: 38.300 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 354.000
• 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