CAS 5405-17-4 N-(3-Methylphenyl)benzenemethanamine (HCID 222281)

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Basic information

CAS: 5405-17-4
Standard SMILES: Cc1cccc(NCc2ccccc2)c1
InChIKey: HHZDSDSOSVITOZ-UHFFFAOYSA-N
Molecular formula: C14H15N
Average molar mass: 197.27 g/mol
Monoisotopic mass: 197.12044948

Names & identifiers

Preferred name: N-(3-Methylphenyl)benzenemethanamine
IUPAC: N-benzyl-3-methylaniline
English name: n-benzyl-m-toluidine
Molecular formula: C14H15N
Molecular weight: 197.28

Names & synonyms

N-benzyl-3-methylaniline5405-17-4N-(3-Methylphenyl)benzenemethanamineDTXSID60968879RefChem:1091177DTXCID701396445112-920-0n-benzyl-m-toluidineNSC8085MFCD00963508N-Benzyl-m-toluidinN-(3-tolyl)benzylamine

Show more names

m-TolylbenzylamineBenzyl-m-tolyl-amineN-(m-Tolyl)benzylamineBenzyl(3-methylphenyl)amineN-(3-Methylphenyl)phenylmethanamineBenzenemethanamine, N-(3-methylphenyl)-

MLS000771435SCHEMBL259701N-3-methylphenyl-N-benzylamineCHEMBL13365303-methyl-N-(phenylmethyl)anilineHHZDSDSOSVITOZ-UHFFFAOYSA-NHMS2750I03N-(3-methylphenyl)-N-benzylamine

Database identifiers

CAS: 5405-17-4
PubChem CID: 222281
DTXSID: DTXSID60968879
ChEMBL: CHEMBL1336530
EC Number: 112-920-0
Nikkaji: J29.924C

Properties

Computed structural properties

XLogP: 3.5
Topological polar surface area: 12 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 3
Heavy atoms: 15
Formal charge: 0
Complexity: 172

Experimental & physicochemical properties

SpringerMaterials PropertiesOptical coefficient

Solubility0.8 [ug/mL] (The mean of the results at pH 7.4)

Physicochemical properties

Melting point: 160 · 160-170 °C
Boiling point: 324.39 °C · 324.39°C (rough estimate)
Density: 1.0083 · 1.0083
refractive index: 1.5845 · 1.5845
pka: 4.02 · 4.02±0.10(Predicted)

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

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

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.