| CAS Number | 406680-94-2 |
| Catalog Number | AG003CBR(AGN-PC-0ROQZ1) |
| Chemical Name | (R)-Methyl bophoz(tm) |
| IUPAC Name | cyclopentane;(1R)-N-diphenylphosphanyl-1-(2-diphenylphosphanylcyclopentyl)-N-methylethanamine;iron(2+) |
| InChI | InChI=1S/C32H30NP2.C5H5.Fe/c1-26(33(2)35(29-20-11-5-12-21-29)30-22-13-6-14-23-30)31-24-15-25-32(31)34(27-16-7-3-8-17-27)28-18-9-4-10-19-28;1-2-4-5-3-1;/h3-26H,1-2H3;1-5H;/q;;+2/t26-;;/m1../s1 |
| InChI Key | OBLNPCQTYLSKBP-FBHGDYMESA-N |
| MDL Number | MFCD05865220 |
| Molecular Formula | C37H29FeNP2 |
| Molecular Weight | 605.4254 |
| SMILES | CN(P(C1=CC=CC=C1)C2=CC=CC=C2)[C@H](C)C34=C5[Fe+2]36789%10(C5([H])=C%116[H])([C-]%12C7=C8C9=C%10%12)[C-]4%11P(C%13=CC=CC=C%13)C%14=CC=CC=C%14 |
| Synonyms | 406680-94-2,
(R)-N-Methyl-N-diphenylphosphino-1-[(S)-2-diphenylphosphino)ferrocenyl]ethylamine,
CTK8E6538,
AKOS025295301,
RT-015293,
CID11181030,
CID 11181030,
|
| Complexity | 576 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 611.15941g/mol |
| Formal Charge | 2 |
| Heavy Atom Count | 41 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 611.5g/mol |
| Monoisotopic Mass | 611.15941g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 3.2Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
|
Hazard Class
|
|
|
Hazard statements
|
H302-H315-H319-H335
|
|
Packing Group
|
|
|
Precautionary statements
|
P261-P280-P301+P312-P302+P352-P305+P351+P338
|
|
UN Code
|
|
Certificate of Analysis
Lot Number