CAS 2799-21-5 (R)-3-Pyrrolidinol (HCID 2759337)

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Basic information

CAS: 2799-21-5
Standard SMILES: O[C@@H]1CCNC1
InChIKey: JHHZLHWJQPUNKB-SCSAIBSYSA-N
Molecular formula: C4H9NO
Average molar mass: 87.12 g/mol
Monoisotopic mass: 87.06841391

Names & identifiers

Preferred name: (R)-3-Pyrrolidinol
IUPAC: (3R)-pyrrolidin-3-ol
English name: (R)-3-Hydroxypyrrolidine
Molecular formula: C4H9NO
Molecular weight: 87.12

Names & synonyms

(R)-3-Pyrrolidinol(-)-3-pyrrolidinolRefChem:407304628-839-32799-21-5(R)-pyrrolidin-3-ol(R)-3-Hydroxypyrrolidine(3R)-pyrrolidin-3-ol3-PYRROLIDINOL, (3R)-(3R)-3-PyrrolidinolMFCD00145220(R)-(+)-3-Hydroxypyrrolidine

Show more names

(R)-HydroxypyrrolidineR-HP98%，ee99%3-PYRROLIDINOL, (R)(R)-Pyrrolidine-3-ol

(3R)-pyrrolidine-3-ol3-(R)-pyrrolidinol(R)-3-HYDROXY-PYRROLIDINE(R)-3-Pyrrolidinol, 98%R-(+)-3-PyrrolidinolDTXSID50374748(3R)-3-HYDROXYPYRROLIDINECS-M0933

Database identifiers

CAS: 2799-21-5
PubChem CID: 2759337
DTXSID: DTXSID50374748
UNII: GWT7TKJ49L
EC Number: 628-839-3
Nikkaji: J257.527B

Properties

Computed structural properties

XLogP: -0.7
Topological polar surface area: 32.3 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 6
Formal charge: 0
Complexity: 46.8

Physicochemical properties

Melting point: 15 °C · 15°C
Boiling point: 215 · 215-216 °C (lit.)
alpha: 6.5 · 6.5 º (c=3.5% in MeOH)
Density: 1.078 g/mL · 1.078 g/mL at 20 °C (lit.)
refractive index: 20 · n20/D 1.488(lit.)
Flash point: 230 °F · >230 °F
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
form: Viscous Liquid
pka: 14.91 · 14.91±0.20(Predicted)
Specific Gravity: 1.048 · 1.048
color: Clear yellow to orange-brown
optical activity: 20 · [α]20/D +6.5°, c = 3.5 in methanol
Water Solubility: Soluble in water and methanol.
Sensitive: Air Sensitive & Hygroscopic
BRN: 5376132 · 5376132
InChI: 1S/C4H9NO/c6-4-1-2-5-3-4/h4-6H,1-3H2/t4-/m1/s1

Safety & regulation

GHS classification

GHS Classification · 4 items

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 46 reports by companies from 6 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: Eyeshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 3
hs_code: 29339900
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
hazard_note: Irritant
safety_code: 26-37/39
Storage Class: 10 - Combustible liquids
target organs: Respiratory system
Hazard statements: H315-H319-H335
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P280a-P321-P332+P313-P337+P313-P261-P305+P351+P338-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313