1-Adamantaneacetonitrile

Modify Date: 2025-08-22 11:56:33

1-Adamantaneacetonitrile Structure
1-Adamantaneacetonitrile structure
Common Name 1-Adamantaneacetonitrile
CAS Number 16269-13-9 Molecular Weight 175.270
Density 1.1±0.1 g/cm3 Boiling Point 295.0±9.0 °C at 760 mmHg
Molecular Formula C12H17N Melting Point 70
MSDS N/A Flash Point 137.4±3.8 °C

 Names

Name 2-(1-adamantyl)acetonitrile
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.1±0.1 g/cm3
Boiling Point 295.0±9.0 °C at 760 mmHg
Melting Point 70
Molecular Formula C12H17N
Molecular Weight 175.270
Flash Point 137.4±3.8 °C
Exact Mass 175.136093
PSA 23.79000
LogP 2.97
Vapour Pressure 0.0±0.6 mmHg at 25°C
Index of Refraction 1.534
InChIKey DXQVPXCZIRQITG-UHFFFAOYSA-N
SMILES N#CCC12CC3CC(CC(C3)C1)C2

 Safety Information

Risk Phrases R20/21/22
Safety Phrases S22-S36/37
RIDADR 3276
Packaging Group III
Hazard Class 6.1
HS Code 2926909090

 Synthetic Route

~61%

1-Adamantaneacetonitrile Structure

1-Adamantaneace...

CAS#:16269-13-9

Literature: Mlinaric-Majerski, Kata; Margeta, Renato; Veljkovic, Jelena Synlett, 2005 , # 13 art. no. G13705ST, p. 2089 - 2091

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1-Adamantaneacetonitrile Structure

1-Adamantaneace...

CAS#:16269-13-9

Literature: Journal of medicinal chemistry, , vol. 10, # 4 p. 517 - 521

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1-Adamantaneacetonitrile Structure

1-Adamantaneace...

CAS#:16269-13-9

Literature: Pharmaceutical Chemistry Journal, , vol. 21, # 4 p. 287 - 291 Khimiko-Farmatsevticheskii Zhurnal, , vol. 21, # 4 p. 454 - 458

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1-Adamantaneacetonitrile Structure

1-Adamantaneace...

CAS#:16269-13-9

Literature: Pharmaceutical Chemistry Journal, , vol. 21, # 4 p. 287 - 291 Khimiko-Farmatsevticheskii Zhurnal, , vol. 21, # 4 p. 454 - 458

 Customs

HS Code 2926909090
Summary HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

 Synonyms

1-Carboxymethyladamantane nitrile
1-cyanomethyl-adamantane
MFCD00194034
1-adamantylacetonitrile
2-(Adamantan-1-yl)acetonitrile
(3s,5s,7s)-Adamantan-1-ylacetonitrile
2-adamantanylethanenitrile
1-adamantaneacetonitrile
Tricyclo[3.3.1.1]decane-1-acetonitrile
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