Basic information
- CAS
17342-08-4- Standard SMILES
O=C1CC[C@@H](CO)N1- InChIKey
HOBJEFOCIRXQKH-BYPYZUCNSA-N- Molecular formula
- C5H9NO2
- Average molar mass
- 115.13 g/mol
- Monoisotopic mass
- 115.06332853
Names & identifiers
- Preferred name
- (S)-5-(Hydroxymethyl)-2-pyrrolidinone
- IUPAC
- (5S)-5-(hydroxymethyl)pyrrolidin-2-one
- English name
- L-Pyroglutaminol
- Molecular formula
- C5H9NO2
- Molecular weight
- 115.13
Names & synonyms
(S)-5-(Hydroxymethyl)-2-pyrrolidinone(5S)-5-(hydroxymethyl)-2-pyrrolidinoneRefChem:408062605-678-717342-08-4L-Pyroglutaminol(s)-(+)-5-hydroxymethyl-2-pyrrolidinone(5S)-5-(hydroxymethyl)pyrrolidin-2-one(S)-(+)-5-(Hydroxymethyl)-2-pyrrolidinone(S)-5-(hydroxymethyl)pyrrolidin-2-one2-Pyrrolidinone, 5-(hydroxymethyl)-, (5S)-MFCD00077792
Show more names
PYROGLUTAMINOLPGLU-OLARBA-002L-Pyr-OLH-PYR-OLEOS-61026H-PGLU-OL
(s)-pyroglutaminol(S)-5(Hydroxymethyl)-2-pyrrolidinoneAS-11453EN300-27221(S)-5-(Hydroxymethyl)-2-pyrrolidinone, 97%Z2353443455-oxoprolinol(s)-5-(hydroxymethyl)-2-pyrrolidone
Database identifiers
- CAS
17342-08-4- PubChem CID
- 643511
- DTXSID
DTXSID80349207- ChEMBL
CHEMBL4559630- EC Number
- 605-678-7
- Nikkaji
- J484.106I
Properties
Computed structural properties
- XLogP
- -1
- Topological polar surface area
- 49.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 103
Physicochemical properties
- Melting point
- 79 · 79-80 °C(lit.)
- Boiling point
- 147 · 147-149°C 0,06mm
- alpha
- 30 · 30 º (C=2, ETOH)
- Density
- 1.1808 · 1.1808 (rough estimate)
- refractive index
- 31 ° · 31 ° (C=5, EtOH)
- Flash point
- 147 · 147-149°C/0.06m
- storage temp.
- Inert atmosphere,Room Temperature
- solubility
- DMSO, Ethanol, Methanol
- form
- Crystals or Crystalline Powder
- pka
- 14.35 · 14.35±0.10(Predicted)
- color
- White to light yellow
- optical activity
- 20 · [α]20/D +30°, c = 2 in ethanol
- Water Solubility
- Soluble in water.
- BRN
- 4657914 · 4657914
- InChI
- 1S/C5H9NO2/c7-3-4-1-2-5(8)6-4/h4,7H,1-3H2,(H,6,8)/t4-/m0/s1
- InChIKey
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 49 reports by companies from 9 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
- 3-10
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- hs_code
- 29051990
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36-37/39
- 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
Applications
Uses(S)-Pyroglutaminol (cas# 17342-08-4) is a compound useful in organic synthesis.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
40 records
Compound notes
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