Completing data — usually done within a minute
Basic information
- CAS
110529-22-1- Standard SMILES
CN1CCC[C@H]1C(O)(c1ccccc1)c1ccccc1- InChIKey
XIJAGFLYYNXCAB-KRWDZBQOSA-N- Molecular formula
- C18H21NO
- Average molar mass
- 267.4 g/mol
Names & identifiers
- Preferred name
- (S)-(+)-2-[Hydroxy(diphenyl)methyl]-1-methylpyrrolidine
- IUPAC
- [(2S)-1-methylpyrrolidin-2-yl]-diphenylmethanol
Names & synonyms
(S)-(+)-2-[Hydroxy(diphenyl)methyl]-1-methylpyrrolidine(S)-(+)-2-(Hydroxy(diphenyl)methyl)-1-methylpyrrolidineRefChem:407598634-571-8110529-22-1MFCD00145245[(2S)-1-methylpyrrolidin-2-yl]-diphenylmethanol(2s)-1-methyl-alpha,alpha-diphenyl-2-pyrrolidinemethanol(+)-(S)-(1-METHYLPYRROLIDIN-2-YL)DIPHENYLMETHANOL(S)-(1-methylpyrrolidin-2-yl)diphenylmethanol(s)-a,a-diphenylmethylprolinoll-diphenylmethylprolinol
Show more names
[(2S)-1-Methylpyrrolidin-2-yl](diphenyl)methanol[(2S)-1-methylpyrrolidin-2-yl]-diphenyl-methanol(S)-(+)-Diphenyl(1-methylpyrrolidin-2-yl)methanol(S)-Diphenyl-N-methyl-prolinolA,A-Diphenyl-N-methyl-L-prolinolAKOS015960678FD32780AC-11946
Database identifiers
- CAS
110529-22-1- PubChem CID
- 853009
- EC Number
- 634-571-8
- Nikkaji
- J256.580C
Properties
Computed structural propertiesFilling in
- 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
Safety & regulation
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%)
Related reactions
1 records
Compound notes
Loading…