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4,4-dimethyl-2-pyrrolidinone

4,4-dimethyl-2-pyrrolidinone structure

CAS No:
66899-02-3
Formula:
C6H11NO
Chemical Name:
4,4-dimethyl-2-pyrrolidinone
Synonyms:
4,4-dimethyl-2-pyrrolidinone;4,4-diMethylpyrrolidin-2-one;4,4-Dimethyl-2-pyrrolidone;2-pyrrolidinone, 4,4-dimethyl-;2-PYRROLIDONE,4,4-DIMETHYL;4,4-dimethylpyrrolidin;4,4-Dimethyl-2-pyrrolidinone,95%

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4,4-dimethyl-2-pyrrolidinone Basic Attributes

Molecular Weight：

113.16

Exact Mass：

113.084063974 g/mol

DSSTox ID：

DTXSID70348461

Characteristics

PSA：

29.1 Å²

Density：

0.945±0.06 g/cm3

Melting Point：

38-40°

Boiling Point：

150-155℃ (18 Torr)

Water Solubility：

Sparingly soluble in water.(0.26 g/L) (25°C),

PKA：

16.70±0.40

Safety Information

Hazard category：

IRRITANT

GHS Classification：

|Warning|H302 (66.67%): 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|Aggregated GHS information provided by 3 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:113.16
XLogP3:0.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Exact Mass:113.084063974
Monoisotopic Mass:113.084063974
Topological Polar Surface Area:29.1
Heavy Atom Count:8
Complexity:118
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4,4-dimethyl-2-pyrrolidinone

Basic Attributes
Characteristics
Safety Information
Computed Properties

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