3-(Methylaminomethyl)benzonitrile

HCID 457595

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Basic information

CAS: 90389-96-1
Standard SMILES: CNCc1cccc(C#N)c1
InChIKey: KBRCDVSFCMVQSN-UHFFFAOYSA-N
Molecular formula: C9H10N2
Average molar mass: 146.19 g/mol
Monoisotopic mass: 146.08439832

Names & identifiers

Preferred name: 3-(Methylaminomethyl)benzonitrile
IUPAC: 3-(methylaminomethyl)benzonitrile
English name: 3-(methylaminomethyl)benzonitrile
Molecular formula: C9H10N2
Molecular weight: 146.19

Names & synonyms

3-((Methylamino)methyl)benzonitrile3-(methylaminomethyl)benzonitrile3-[(methylamino)methyl]benzonitrileRefChem:495530834-683-990389-96-1MFCD097316503-Methylaminomethyl-benzonitrileBenzonitrile, 3-((methylamino)methyl)-3-Cyano-N-methylbenzylamineBenzonitrile, 3-[(methylamino)methyl]-N-Methyl-N-(3-cyanobenzyl)amine

Show more names

3-(methylaminomethyl3-(Methylaminomethyl)benzonitrile,95%

AKOS000140066AC-9497CS-0135268M2869EN300-32044C770593-[(METHYLAMINO)METHYL]-BENZONITRILEKBRCDVSFCMVQSN-UHFFF

Database identifiers

CAS: 90389-96-1
PubChem CID: 457595
DTXSID: DTXSID60238125
ChEMBL: CHEMBL1178171
EC Number: 834-683-9
Nikkaji: J1.910.407I

Properties

Computed structural properties

XLogP: 1.1
Topological polar surface area: 35.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 11
Formal charge: 0
Complexity: 156

Physicochemical properties

Boiling point: 145 °C/15mmHg · 145°C/15mmHg(lit.)
refractive index: 1.54 to · 1.5400 to 1.5440
storage temp.: -20 °C · Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
form: clear liquid
color: Colorless to Almost colorless
Symbol(GHS): 7 · GHS07
Signal word: Danger
Hazard statements: 302 · H302-H312-H315-H319-H332-H335
Precautionary statements: 261 · P261-P280-P304+P340-P305+P351+P338-P405-P501a
RIDADR: 2922 · UN 2922 8/6.1/PG II
HazardClass: 6.1 · 6.1
PackingGroup: II
HS Code: 2926907090 · 2926907090

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H301+H311+H331 (50%): Toxic if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

P260, P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P361+P364, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.