3-[(Methylamino)methyl]benzonitrile

Modify Date: 2025-08-25 21:20:41

3-[(Methylamino)methyl]benzonitrile Structure
3-[(Methylamino)methyl]benzonitrile structure
Common Name 3-[(Methylamino)methyl]benzonitrile
CAS Number 90389-96-1 Molecular Weight 146.189
Density 1.0±0.1 g/cm3 Boiling Point 247.4±15.0 °C at 760 mmHg
Molecular Formula C9H10N2 Melting Point N/A
MSDS N/A Flash Point 103.4±20.4 °C

 Names

Name 3-((Methylamino)methyl)benzonitrile
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.0±0.1 g/cm3
Boiling Point 247.4±15.0 °C at 760 mmHg
Molecular Formula C9H10N2
Molecular Weight 146.189
Flash Point 103.4±20.4 °C
Exact Mass 146.084396
PSA 35.82000
LogP 0.96
Vapour Pressure 0.0±0.5 mmHg at 25°C
Index of Refraction 1.542
InChIKey KBRCDVSFCMVQSN-UHFFFAOYSA-N
SMILES CNCc1cccc(C#N)c1
Storage condition 2-8°C

 Safety Information

Hazard Codes T+
RIDADR UN 2922 8/6.1/PG II
Packaging Group II
HS Code 2926909090

 Synthetic Route

~99%

3-[(Methylamino)methyl]benzonitrile Structure

3-[(Methylamino...

CAS#:90389-96-1

Literature: MERCK SERONO S.A.; BOMBRUN, Agnes; QUATTROPANI, Anna; GONZALEZ, Jerome; DORBAIS, Jerome; KNIGHT, Chris; BAKER-GLENN, Charles Patent: WO2012/4287 A1, 2012 ; Location in patent: Page/Page column 93-94 ; WO 2012/004287 A1

~88%

3-[(Methylamino)methyl]benzonitrile Structure

3-[(Methylamino...

CAS#:90389-96-1

Literature: Kumpaty, Hephzibah J.; Williamson, John S.; Bhattacharyya, Sukanta Synthetic Communications, 2003 , vol. 33, # 8 p. 1411 - 1416

~%

3-[(Methylamino)methyl]benzonitrile Structure

3-[(Methylamino...

CAS#:90389-96-1

Literature: Journal of Medicinal Chemistry, , vol. 27, # 9 p. 1111 - 1118

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3-[(Methylamino)methyl]benzonitrile Structure

3-[(Methylamino...

CAS#:90389-96-1

Literature: Journal of the Chemical Society, Chemical Communications, , # 2 p. 64 - 65

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3-[(Methylamino)methyl]benzonitrile Structure

3-[(Methylamino...

CAS#:90389-96-1

Literature: Journal of the Chemical Society - Perkin Transactions 1, , # 16 p. 2527 - 2531

 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

3-[(Methylamino)methyl]benzonitrile
3-(methylaminomethyl)benzonitrile
Benzonitrile, 3-((methylamino)methyl)-
Benzonitrile, 3-[(methylamino)methyl]-
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