(R)-(-)-2-[Hydroxy(diphenyl)methyl]-1-methylpyrrolidine
Basic information
- CAS
144119-12-0- Standard SMILES
CN1CCC[C@@H]1C(O)(c1ccccc1)c1ccccc1- InChIKey
XIJAGFLYYNXCAB-QGZVFWFLSA-N- Molecular formula
- C18H21NO
- Average molar mass
- 267.4 g/mol
- Monoisotopic mass
- 267.16231429
Names & identifiers
- Preferred name
- (R)-(-)-2-[Hydroxy(diphenyl)methyl]-1-methylpyrrolidine
- IUPAC
- [(2R)-1-methylpyrrolidin-2-yl]-diphenylmethanol
- English name
- (R)-alpha,alpha-Diphenylmethylprolinol
- Molecular formula
- C18H21NO
- Molecular weight
- 267.37
Names & synonyms
144119-12-0(R)-(-)-2-[Hydroxy(diphenyl)methyl]-1-methylpyrrolidine(R)-(-)-2-(Hydroxy(diphenyl)methyl)-1-methylpyrrolidineRefChem:407034635-081-7(R)-(1-Methylpyrrolidin-2-yl)diphenylmethanolMFCD00145217[(2R)-1-methylpyrrolidin-2-yl]-diphenylmethanol(r)-alpha,alpha-diphenylmethylprolinol2-Pyrrolidinemethanol, 1-methyl-alpha,alpha-diphenyl-, (2R)-(R)-(-)-Diphenyl(1-methylpyrrolidin-2-yl)methanol[(2R)-1-methylpyrrolidin-2-yl]diphenylmethanol
Show more names
(2R)-(-)-N-Methyl-αa,a-Diphenyl-N-methyl-D-prolinolà,à-diphenyl-n-methyl-d-prolinolα,α-diphenyl-n-methyl-d-prolinolα,α-Diphenyl-N-Methyl-D-ProlinolALPHA,ALPHA-DIPHENYL-N-METHYL-D-PROLINOL-diphenyl-2-pyrrolidinemethanol, min. 98%
1,1-diphenyl-n-methyl-d-prolinold-diphenylmethylprolinol(R)-(1-Methyl-2-pyrrolidyl)diphenylmethanol[(2R)-1-methylpyrrolidin-2-yl]-diphenyl-methanol(r)-a,a-diphenylmethylprolinolSCHEMBL7922116(2r)-1-methyl-alpha,alpha-diphenyl-2-pyrrolidinemethanolXIJAGFLYYNXCAB-QGZVFWFLSA-N
Database identifiers
- CAS
144119-12-0- PubChem CID
- 853010
- EC Number
- 635-081-7
- Nikkaji
- J383.006C
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 23.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 287
Physicochemical properties
- Melting point
- 68 · 68-71 °C
- alpha
- -52 ° · -52° (c=1, CHCl3)
- Boiling point
- 406.8 · 406.8±25.0 °C(Predicted)
- Density
- 1.116 · 1.116±0.06 g/cm3(Predicted)
- refractive index
- -55 ° · -55 ° (C=1, CHCl3)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 13.15 · 13.15±0.29(Predicted)
- form
- Powder
- color
- white to light-yellow
- optical activity
- 20 · [α]20/D 55.0±4.0°, c = 1% in chloroform stab. with amylenes
- BRN
- 1535407 · 1535407
- InChI
- 1S/C18H21NO/c1-19-14-8-13-17(19)18(20,15-9-4-2-5-10-15)16-11-6-3-7-12-16/h2-7,9-12,17,20H,8,13-14H2,1H3/t17-/m1/s1
- InChIKey
- XIJAGFLYYNXCAB-QGZVFWFLSA-N
- SMILES
- CN1CCC[C@@H]1C(O)(c2ccccc2)c3ccccc3
- CAS DataBase Reference
- 144119 · 144119-12-0(CAS DataBase Reference)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- F
- 10-34
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- hs_code
- 29339900
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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