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3-Hydroxypiperidin-2-one

3-Hydroxypiperidin-2-one structure

CAS No:
19365-08-3
Formula:
C5H9NO2
Chemical Name:
3-Hydroxypiperidin-2-one
Synonyms:
2-Piperidinone,3-hydroxy-;2-Piperidone,3-hydroxy-;3-Hydroxy-2-piperidinone;3-Hydroxy-2-piperidone;2-Hydroxyvalerolactam;NSC 100722;3-Hydroxypiperidin-2-one;116908-80-6
Categories:
Active Pharmaceutical Ingredients > Other Chemical Drugs

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3-Hydroxypiperidin-2-one Basic Attributes

Molecular Weight：

115.13

Exact Mass：

115.13

NSC Number：

100722

DSSTox ID：

DTXSID50295242

HScode：

2933790090

Characteristics

PSA：

49.33000

XLogP3：

-0.41390

Density：

1.199±0.06 g/cm3

Melting Point：

141-142 °C @ Solvent: Ethyl acetate

Boiling Point：

352.3±35.0 °C(Predicted)

Flash Point：

166.8ºC

Refractive Index：

1.497

Vapor Pressure：

2.28E-06mmHg at 25°C

PKA：

12.82±0.20

Safety Information

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:115.13
XLogP3:-0.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Exact Mass:115.063328530
Monoisotopic Mass:115.063328530
Topological Polar Surface Area:49.3
Heavy Atom Count:8
Complexity:103
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes