chempirical

(2S,4S)-4-(Diphenylphosphino)-2-[(diphenylphosphino)methyl]pyrrolidine

C29H29NP2CAS 61478-29-3453.51 g/mol

Open in Covalent MOL file
PPHN
Secondary Amine

Properties

Molecular formula
C29H29NP2
Molar mass
453.51 g/mol
Exact mass
453.1775 Da
Melting point
103–104 °C
logP
4.98Crippen estimate
Polar surface area
12.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
7

Identifiers

CAS number
61478-29-3
SMILES
c1ccc(P(C[C@@H]2C[C@H](P(c3ccccc3)c3ccccc3)CN2)c2ccccc2)cc1
InChIKey
PQHKXSOICTYGQD-OUTSHDOLSA-N
InChI
InChI=1S/C29H29NP2/c1-5-13-25(14-6-1)31(26-15-7-2-8-16-26)23-24-21-29(22-30-24)32(27-17-9-3-10-18-27)28-19-11-4-12-20-28/h1-20,24,29-30H,21-23H2/t24-,29-/m0/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

4 names
  • Pyrrolidine, 4-(diphenylphosphino)-2-[(diphenylphosphino)methyl]-, (2S,4S)-
  • Pyrrolidine, 4-(diphenylphosphino)-2-[(diphenylphosphino)methyl]-, (2S-cis)-
  • (2S,4S)-PPM
  • (2S,4S)-(-)-4-(Diphenylphosphino)-2-[(diphenylphosphino)methyl]pyrrolidine

Work with (2S,4S)-4-(Diphenylphosphino)-2-[(diphenylphosphino)methyl]pyrrolidine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Elsewhere

PubChem CAS Common Chemistry NIST WebBook