Basic information
- CAS
102069-83-0- Standard SMILES
COc1ccccc1C(=O)N1CCC[C@H]1CO- InChIKey
ZPRSXRGRMZPZQY-JTQLQIEISA-N- Molecular formula
- C13H17NO3
- Average molar mass
- 235.28 g/mol
- Monoisotopic mass
- 235.1208434
Names & identifiers
- Preferred name
- (S)-(-)-1-(2-Methoxybenzoyl)-2-pyrrolidinemethanol
- IUPAC
- [(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone
- English name
- (S)-(-)-1-(2-Methoxybenzoyl)-2-pyrrolidinemethanol
- Molecular formula
- C13H17NO3
- Molecular weight
- 235.28
Names & synonyms
102069-83-0(S)-(-)-1-(2-Methoxybenzoyl)-2-pyrrolidinemethanolDTXSID10349179RefChem:210990DTXCID20300251623-112-7[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone(S)-(2-(Hydroxymethyl)pyrrolidin-1-yl)(2-methoxyphenyl)methanoneMethanone, [(2S)-2-(hydroxymethyl)-1-pyrrolidinyl](2-methoxyphenyl)-[(2S)-1-(2-METHOXYBENZOYL)PYRROLIDIN-2-YL]METHANOLSCHEMBL6866556ZPRSXRGRMZPZQY-JTQLQIEISA-N
Show more names
1-(2-methoxybenzoyl)-2-pyrrolidinemethanol1-(2-Methoxybenzoyl)pyrrolidine-2α-methanol[2S,(-)]-1-(2-Methoxybenzoyl)-2-pyrrolidinemethanol(S)-(-)-1-(2-METHOXYBENZOYL)-2-PYRROLIDINEMETHANOL 99%(S)-(-)-1-(2-Methoxybenzoyl)-2-pyrrolidineMethanol,99%2-Methoxyphenyl[(2S)-2α-(hydroxymethyl)pyrrolidine-1-yl] ketone
AKOS017390991(S)-(-)-1-(2-Methoxybenzoyl)-2-pyrrolidinemethanol, 99%[(2S)-2-(Hydroxymethyl)pyrrolidin-1-yl](2-methoxyphenyl)methanone
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 269
Physicochemical properties
- Melting point
- 104 · 104-107 °C(lit.)
- Boiling point
- 425.041 · 425.041±20.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.18 · 1.180±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 14.773 · 14.773±0.10(predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-37/39
- WGK Germany
- 3 · 3
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 39 reports by companies from 2 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
- wgk
- 3
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-37/39
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Suppliers4 total
赛纳斯特化学（欢迎点击联系）021-60343070
Capot Chemical Co.,Ltd.+86-（0）57185586718 +86-13336195806 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
Capot Chemical Co., Ltd+86 (0) 571 85 58 67 18
Related reactions
1 records
Compound notes
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