Fmoc-S-3-Aminoisobutyric acid - ≥95% , CAS No.203854-58-4

CAS: 203854-58-4 Cat. No.: F135341 Molecular Weight: 325.36 Beilstein Registry Number: 8008600 EC Number: 173-129-4

GRADE & PURITY ≥95%

Synonyms

F15090 | A879659 | FMOC-R-AMPA-OH | (2S)-3-({[(9H-Fluoren-9-yl)methoxy]carbonyl}amino)-2-methylpropanoic acid | Propanoic acid, 3-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-2-methyl-, (2S)- | DTXSID60583642 | AKOS016843153 | Fmoc-(S)-3-Amino-2-methylpropan

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

F15090 | A879659 | FMOC-R-AMPA-OH | (2S)-3-({[(9H-Fluoren-9-yl)methoxy]carbonyl}amino)-2-methylpropanoic acid | Propanoic acid, 3-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-2-methyl-, (2S)- | DTXSID60583642 | AKOS016843153 | Fmoc-(S)-3-Amino-2-methylpropan

Specifications & Purity

≥95%

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

≥95%

Names and Identifiers

• Pubchem Sid: 504768177
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504768177
• Canonical Smiles: CC(CNC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13)C(=O)O
• IUPAC Name: (2S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylpropanoic acid
• InChIKey: BMUDOYSTGJHGNI-LBPRGKRZSA-N
• INCHI: 1S/C19H19NO4/c1-12(18(21)22)10-20-19(23)24-11-17-15-8-4-2-6-13(15)14-7-3-5-9-16(14)17/h2-9,12,17H,10-11H2,1H3,(H,20,23)(H,21,22)/t12-/m0/s1
• Isomeric SMILES: C[C@@H](CNC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13)C(=O)O
• WGK Germany: 3
• Molecular Weight: 325.36
• Beilstein: 8008600
• Reaxy-Rn: 7827140
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7827140&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 Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Fluorene - Carbamic acid ester - Carbonic acid derivative - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - 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

• Boil Point(°C): 555.3°C at 760 mmHg
• Molecular Weight: 325.400 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 325.131 Da
• Monoisotopic Mass: 325.131 Da
• Topological Polar Surface Area: 75.600 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 444.000
• 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