N-[(1S)-1-phenylethyl]-N-[(1R)-1-phenylethyl]-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
Basic information
- CAS
712352-08-4- Standard SMILES
C[C@H](c1ccccc1)N([C@@H](C)c1ccccc1)p1oc2ccc3ccccc3c2c2c(ccc3ccccc32)o1- InChIKey
LKZPDRCMCSBQFN-WMPKNSHKSA-N- Molecular formula
- C36H30NO2P
- Average molar mass
- 539.6 g/mol
- Monoisotopic mass
- 539.2014162
Names & identifiers
- Preferred name
- N-[(1S)-1-phenylethyl]-N-[(1R)-1-phenylethyl]-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
- IUPAC
- N-[(1S)-1-phenylethyl]-N-[(1R)-1-phenylethyl]-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
- English name
- (+)-N,N-Bis[(1R)-1-phenylethyl]-dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-amine, (11bR)
- Molecular formula
- C36H30NO2P
- Molecular weight
- 539.6
Names & synonyms
PubChem ID: 10886035N,N-Bis((R)-1-phenylethyl)dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-amineN,N-Bis((R)-1-phenylethyl)dinaphtho-[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-amineDinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-amine, N,N-bis[(1R)-1-phenylethyl]-(R,R,R)-(3,5-Dioxa-4-phosphacyclohepta[2,1-a:3,4-a']dinaphthalen-4-yl)bis(1-phenylethyl)amine(+)-N,N-Bis[(1R)-1-phenylethyl]-dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-amine, (11bR)(S,R,R)-(+)-(3,5-DIOXA-4-PHOSPHA-CYCLOHEPTA[2,1-A:3,4-A']DINAPHTHALEN-4-YL)BIS(1-PHENYLETHYL)AMINE
Database identifiers
- CAS
712352-08-4- PubChem CID
- 21944153
- EC Number
- 117-321-8
- Nikkaji
- J3.783.514E
Properties
Computed structural properties
- XLogP
- 9.9
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 747
Physicochemical properties
- Boiling point
- 710.7 · 710.7±63.0 °C(Predicted)
- pka
- -0.57 · -0.57±0.20(Predicted)
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301-H311-H331
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P302+P352-P304+P340-P310-P330-P361-P403+P233-P405-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- Hazard statements
- H301-H311-H331
- Precautionary statements
- P261-P264-P270-P271-P280-P302+P352-P304+P340-P310-P330-P361-P403+P233-P405-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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