(11bR)-8,9,10,11,12,13,14,15-Octahydro-N,N-dimethyl-dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-amine - ≥95%,≥99%(ee) , CAS No.444311-00-6

CAS: 444311-00-6 Cat. No.: R589140 Molecular Weight: 367.4

GRADE & PURITY ≥95%,≥99%(ee)

Synonyms

SC11378 | (11BR)-N,N-DIMETHYL-8,9,10,11,12,13,14,15-OCTAHYDRODINAPHTHO[2,1-D:1',2'-F][1,3,2]DIOXAPHOSPHEPIN-4-AMINE | (S)-(+)-(8,9,10,11,12,13,14,15-Octahydro-3,5-dioxa-4-phospha-cyclohepta[2,1-a;3,4-a']dinaphthalen-4-yl)dimethylamine | N,N-Dimethyl-12,14

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

SC11378 | (11BR)-N, N-DIMETHYL-8, 9, 10, 11, 12, 13, 14, 15-OCTAHYDRODINAPHTHO[2, 1-D:1', 2'-F][1, 3, 2]DIOXAPHOSPHEPIN-4-AMINE | (S)-(+)-(8, 9, 10, 11, 12, 13, 14, 15-Octahydro-3, 5-dioxa-4-phospha-cyclohepta[2, 1-a;3, 4-a']dinaphthalen-4-yl)dimethylamine | N, N-Dimethyl-12, 14

Specifications & Purity

≥95%, ≥99%(ee)

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

≥95%, ≥99%(ee)

Names and Identifiers

• Canonical Smiles: CN(C)P1OC2=C(C3=C(CCCC3)C=C2)C4=C(O1)C=CC5=C4CCCC5
• IUPAC Name: N,N-dimethyl-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3(8),9,16,18(23)-hexaen-13-amine
• InChIKey: OIZQADYWBXZQKE-UHFFFAOYSA-N
• INCHI: 1S/C22H26NO2P/c1-23(2)26-24-19-13-11-15-7-3-5-9-17(15)21(19)22-18-10-6-4-8-16(18)12-14-20(22)25-26/h11-14H,3-10H2,1-2H3
• Isomeric SMILES: CN(C)P1OC2=C(C3=C(CCCC3)C=C2)C4=C(O1)C=CC5=C4CCCC5
• Molecular Weight: 367.4
• Reaxy-Rn: 19238686
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=19238686&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Tetralins

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Tetralins
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Tetralins
• Alternative Parents: Heteroaromatic compounds Oxacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Tetralin - Heteroaromatic compound - Oxacycle - Organoheterocyclic compound - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as tetralins. These are polycyclic aromatic compounds containing a tetralin moiety, which consists of a benzene fused to a cyclohexane.
• 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: air sensitive
• Melt Point(°C): 86-94°C
• Molecular Weight: 367.400 g/mol
• XLogP3: 6.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 367.17 Da
• Monoisotopic Mass: 367.17 Da
• Topological Polar Surface Area: 29.500 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 461.000
• 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