1-(4-Chlorophenyl)-N-(4-ethynylbenzyl)methanamine

Modify Date: 2025-10-09 11:54:21

1-(4-Chlorophenyl)-N-(4-ethynylbenzyl)methanamine Structure
1-(4-Chlorophenyl)-N-(4-ethynylbenzyl)methanamine structure
Common Name 1-(4-Chlorophenyl)-N-(4-ethynylbenzyl)methanamine
CAS Number 1049809-94-0 Molecular Weight 255.742
Density 1.2±0.1 g/cm3 Boiling Point 367.7±32.0 °C at 760 mmHg
Molecular Formula C16H14ClN Melting Point N/A
MSDS N/A Flash Point 176.2±25.1 °C

 Names

Name N-(4-Chlorobenzyl)-1-(4-ethynylphenyl)methanamine
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.2±0.1 g/cm3
Boiling Point 367.7±32.0 °C at 760 mmHg
Molecular Formula C16H14ClN
Molecular Weight 255.742
Flash Point 176.2±25.1 °C
Exact Mass 255.081482
PSA 12.03000
LogP 4.20
Vapour Pressure 0.0±0.8 mmHg at 25°C
Index of Refraction 1.613
InChIKey QQGFAHGQTBVPCD-UHFFFAOYSA-N
SMILES C#Cc1ccc(CNCc2ccc(Cl)cc2)cc1

 Synthetic Route

~87%

1-(4-Chlorophenyl)-N-(4-ethynylbenzyl)methanamine Structure

1-(4-Chlorophen...

CAS#:1049809-94-0

Literature: Deng, Xiaoliu; Liang, Jimmy T.; Peterson, Matthew; Rynberg, Raymond; Cheung, Eugene; Mani, Neelakandha S. Journal of Organic Chemistry, 2010 , vol. 75, # 6 p. 1940 - 1947

~83%

1-(4-Chlorophenyl)-N-(4-ethynylbenzyl)methanamine Structure

1-(4-Chlorophen...

CAS#:1049809-94-0

Literature: Ameriks, Michael K.; Axe, Frank U.; Edwards, James P.; Grice, Cheryl A.; Cai, Hui; Gleason, Elizabeth Ann; Meduna, Steven P.; Tays, Kevin L.; Wiener, John J. M.; Wickboldt, Alvah T. Patent: US2008/200454 A1, 2008 ; Location in patent: Page/Page column 73 ; US 20080200454 A1

~%

1-(4-Chlorophenyl)-N-(4-ethynylbenzyl)methanamine Structure

1-(4-Chlorophen...

CAS#:1049809-94-0

Literature: Deng, Xiaoliu; Liang, Jimmy T.; Peterson, Matthew; Rynberg, Raymond; Cheung, Eugene; Mani, Neelakandha S. Journal of Organic Chemistry, 2010 , vol. 75, # 6 p. 1940 - 1947

 Synonyms

1-(4-Chlorophenyl)-N-(4-ethynylbenzyl)methanamine
Benzenemethanamine, N-[(4-chlorophenyl)methyl]-4-ethynyl-
N-[(4-chlorophenyl)methyl]-1-(4-ethynylphenyl)methanamine
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