3-(Fmoc-amino)-1-propanol - ≥98% , CAS No.157887-82-6

CAS: 157887-82-6 Cat. No.: F132654 Molecular Weight: 297.35 Beilstein Registry Number: 6814792 EC Number: 890-044-4

GRADE & PURITY ≥98%

Synonyms

3-(Fmoc-amino)-1-propanol, >=98.0% | AM20030064 | Carbamic acid, hydroxypropyl-, 9H-fluoren-9-ylmethyl ester | 9H-fluoren-9-ylmethyl N-(3-hydroxypropyl)carbamate | A-Ala-ol | GNXZNUJDAMSJFZ-UHFFFAOYSA-N | AKOS009157807 | EN300-7226887 | 3-[(9H-Fluoren-9-y

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Overview

Building block for the synthesis of oxa-analogues and homologues of naturally occurring polyamines.

Specifications

Synonyms

3-(Fmoc-amino)-1-propanol, >=98.0% | AM20030064 | Carbamic acid, hydroxypropyl-, 9H-fluoren-9-ylmethyl ester | 9H-fluoren-9-ylmethyl N-(3-hydroxypropyl)carbamate | A-Ala-ol | GNXZNUJDAMSJFZ-UHFFFAOYSA-N | AKOS009157807 | EN300-7226887 | 3-[(9H-Fluoren-9-y

Specifications & Purity

≥98%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

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

Purity

≥98%

Names and Identifiers

• Canonical Smiles: C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NCCCO
• IUPAC Name: 9H-fluoren-9-ylmethyl N-(3-hydroxypropyl)carbamate
• InChIKey: GNXZNUJDAMSJFZ-UHFFFAOYSA-N
• INCHI: 1S/C18H19NO3/c20-11-5-10-19-18(21)22-12-17-15-8-3-1-6-13(15)14-7-2-4-9-16(14)17/h1-4,6-9,17,20H,5,10-12H2,(H,19,21)
• Isomeric SMILES: C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NCCCO
• WGK Germany: 3
• Molecular Weight: 297.35
• Beilstein: 6814792
• Reaxy-Rn: 6814792
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6814792&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 Alkanolamines Primary alcohols Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Fluorene - Carbamic acid ester - Carbonic acid derivative - Alkanolamine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Organonitrogen compound - Carbonyl group - Alcohol - 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

• Sensitivity: Moisture Sensitive；Heat sensitive
• Melt Point(°C): 129 °C
• Molecular Weight: 297.300 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 297.136 Da
• Monoisotopic Mass: 297.136 Da
• Topological Polar Surface Area: 58.600 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 351.000
• 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