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2-Carbamoyl-5,5-dimethyl-1,4-hexanedione

2-Carbamoyl-5,5-dimethyl-1,4-hexanedione structure

CAS No:
941-70-8
Formula:
C9H15NO3
Chemical Name:
2-Carbamoyl-5,5-dimethyl-1,4-hexanedione
Synonyms:
2-Carbamoyl-5,5-dimethyl-1,4-hexanedione;4,4-Dimethyl-2,6-dioxo-cyclohexanecarboxamide;2,6-diketo-4,4-dimethyl-cyclohexanecarboxamide;4,4-dimethyl-2,6-dioxocyclohexane-1-carboxamide;4,4-dimethyl-2,6-dioxo-cyclohexane-1-carboxamide

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2-Carbamoyl-5,5-dimethyl-1,4-hexanedione Basic Attributes

Molecular Weight：

183.20400

Exact Mass：

183.09000

NSC Number：

41283

HScode：

2924199090

Characteristics

PSA：

77.23000

XLogP3：

0.74640

Density：

1.172g/cm3

Boiling Point：

411.1ºC at 760mmHg

Flash Point：

202.4ºC

Refractive Index：

1.492

Safety Information

Precautionary statement(s)：

P264, P270, P301+P312, P330, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:183.20
XLogP3:0.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:183.08954328
Monoisotopic Mass:183.08954328
Topological Polar Surface Area:77.2
Heavy Atom Count:13
Complexity:261
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-Carbamoyl-5,5-dimethyl-1,4-hexanedione

Basic Attributes
Characteristics
Safety Information
Computed Properties

2-Carbamoyl-5,5-dimethyl-1,4-hexanedione

SDS

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