| CAS Number | 1637749-69-9 |
| Catalog Number | AG01FQZ6(AGN-PC-3H5PB3) |
| Chemical Name | (11bS)-N-Benzhydryl-N-isopropyldinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-amine |
| IUPAC Name | N-benzhydryl-N-propan-2-yl-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 |
| InChI | InChI=1S/C36H30NO2P/c1-25(2)37(36(28-15-5-3-6-16-28)29-17-7-4-8-18-29)40-38-32-23-21-26-13-9-11-19-30(26)34(32)35-31-20-12-10-14-27(31)22-24-33(35)39-40/h3-25,36H,1-2H3 |
| InChI Key | KHRFJJFJBQJEHQ-UHFFFAOYSA-N |
| MDL Number | MFCD31707590 |
| Molecular Formula | C36H30NO2P |
| Molecular Weight | 539.6027 |
| SMILES | CC(C)N(C(C1=CC=CC=C1)C2=CC=CC=C2)P3OC4=C(C5=C(O3)C=CC6=CC=CC=C56)C7=CC=CC=C7C=C4 |
| Synonyms | SCHEMBL16193207,
KHRFJJFJBQJEHQ-UHFFFAOYSA-N,
2,2'-(Benzhydrylisopropylaminophosphinediylbisoxy)-1,1'-binaphthalene,
(aR)-4-(Benzhydrylisopropylamino)dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin,
N-Benzhydryl-N-isopropyldinaphtho[2,1-d:1',2'-f][1,3,2]dioxa-phosphepin-4-amine,
(11bS)-N-(Diphenylmethyl)-N-(i-propyl)dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-amine@CRLF1637749-69-9,
1637749-69-9,
|
| Complexity | 751 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 539.201416g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 40 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 539.6g/mol |
| Monoisotopic Mass | 539.201416g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 29.5Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 10.1 |
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Certificate of Analysis
Lot Number