(S)-(+)-(2,6-Dimethyl-3,5-dioxa-4-phospha-cyclohepta[2,1-a;3,4-a'']dinaphthalen-4-yl)dimethylamine - ≥98% , CAS No.185449-86-9

CAS: 185449-86-9 Cat. No.: S281991 Molecular Weight: 387.42 EC Number: 813-830-0 PubChem CID: 11452018

GRADE & PURITY ≥98%

Synonyms

D94901 | MFCD04117683 | (11bR)-N,N,2,6-tetraMethyl-Dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-aMine | (11bR)-N,N,2,6-Tetramethyldinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-amine | (S)-(+)-(2,6-DIMETHYL-3,5-DIOXA-4-PHOSPHA-CYCLOHEPTA[2,1-A:3,4-A

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

D94901 | MFCD04117683 | (11bR)-N, N, 2, 6-tetraMethyl-Dinaphtho[2, 1-d:1', 2'-f][1, 3, 2]dioxaphosphepin-4-aMine | (11bR)-N, N, 2, 6-Tetramethyldinaphtho[2, 1-d:1', 2'-f][1, 3, 2]dioxaphosphepin-4-amine | (S)-(+)-(2, 6-DIMETHYL-3, 5-DIOXA-4-PHOSPHA-CYCLOHEPTA[2, 1-A:3, 4-A

Specifications & Purity

≥98%

Legal Information

Sold in collaboration with DSM for research purposes only. Patent WO 0204466. DSM''s MonoPhos™ Ligand Kit component.", 'Stability:': 'moisture sensitive

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

≥98%

Names and Identifiers

• Canonical Smiles: CC1=CC2=CC=CC=C2C3=C1OP(OC4=C3C5=CC=CC=C5C=C4C)N(C)C
• IUPAC Name: N,N,10,16-tetramethyl-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-amine
• InChIKey: MXASPZVRFOFONU-UHFFFAOYSA-N
• INCHI: 1S/C24H22NO2P/c1-15-13-17-9-5-7-11-19(17)21-22-20-12-8-6-10-18(20)14-16(2)24(22)27-28(25(3)4)26-23(15)21/h5-14H,1-4H3
• Isomeric SMILES: CC1=CC2=CC=CC=C2C3=C1OP(OC4=C3C5=CC=CC=C5C=C4C)N(C)C
• PubChem CID: 11452018
• Molecular Weight: 387.42

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Naphthalenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Naphthalenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Naphthalenes
• Alternative Parents: Heteroaromatic compounds Oxacyclic compounds Organooxygen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Naphthalene - Heteroaromatic compound - Oxacycle - Organoheterocyclic compound - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.
• 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
• Molecular Weight: 387.400 g/mol
• XLogP3: 6.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 387.139 Da
• Monoisotopic Mass: 387.139 Da
• Topological Polar Surface Area: 29.500 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 513.000
• 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