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1-Acetamidoadamantane

1-Acetamidoadamantane structure

CAS No:
880-52-4
Formula:
C12H19NO
Chemical Name:
1-Acetamidoadamantane
Synonyms:
Acetamide,N-tricyclo[3.3.1.13,7]dec-1-yl-;Acetamide,N-1-adamantyl-;N-Tricyclo[3.3.1.13,7]dec-1-ylacetamide;N-1-Adamantylacetamide;1-Acetamidoadamantane;N-Adamantylacetamide;N-(Tricyclo[3.3.1.13,7]dec-1-yl)acetamide;NSC 527917;N-Acetyl amantadine;N-(Adamantan-1-yl)acetamide
Categories:
Chemical Reagents > Organic Reagents

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Description

white to light yellow crystal powde

1-Acetamidoadamantane Basic Attributes

Molecular Weight：

193.29

Exact Mass：

193.29

EC Number：

212-914-9

UNII：

5283Y1VOII

NSC Number：

527917

DSSTox ID：

DTXSID9061255

HScode：

2924299090

Characteristics

PSA：

29.1

XLogP3：

1.83

Appearance：

White to yellow Crystalline Powder

Density：

1.1±0.1 g/cm3

Melting Point：

148 °C @ Solvent: Cyclohexane

Boiling Point：

354.0±9.0 °C at 760 mmHg

Flash Point：

210.6±3.7 °C

Refractive Index：

1.534

Storage Conditions：

0-6°C

Toxicity：

Peritoneal-mouse LD50: 520 mg/kg

Flammability characteristics：

Flammable; burning releases toxic nitrogen oxide fumes

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

20/21/22-36/37/38

safety instructions：

36-24/25-26

RTECS Number：

AB4308000

Marks：

Xn,Xi

Storage features：

Treasury is ventilated, low temperature and dry; stored separately from food materials

Stability/Shelf Life：

Stable at room temperature in closed containers under normal storage and handling conditions.

Precautionary statement(s)：

P261-P280-P301 + P312 + P330

Hazard Statements：

H302 + H312 + H332

GHS Classification：

|Warning|H302 (90.91%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, and P501|Aggregated GHS information provided by 44 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Toxicity

Toxicity class：

moderately toxic

1-Acetamidoadamantane Use and Manufacturing

Uses

A metabolite of Adamantamine

Manufacturing Info：

Acetamide, N-tricyclo[3.3.1.13,7]dec-1-yl-: ACTIVE

Computed Properties

Molecular Weight:193.28
XLogP3:2.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:193.146664230
Monoisotopic Mass:193.146664230
Topological Polar Surface Area:29.1
Heavy Atom Count:14
Complexity:230
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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