CAS 76532-33-7 Methyl[(naphthalen-2-yl)methyl]amine (HCID 541935)

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Basic information

CAS: 76532-33-7
Standard SMILES: CNCc1ccc2ccccc2c1
InChIKey: SSNISTUBYRMYDY-UHFFFAOYSA-N
Molecular formula: C12H13N
Average molar mass: 171.24 g/mol
Monoisotopic mass: 171.10479942

Names & identifiers

Preferred name: Methyl[(naphthalen-2-yl)methyl]amine
IUPAC: N-methyl-1-naphthalen-2-ylmethanamine
English name: methyl-(naphthalen-2-ylmethyl)azanium
Molecular formula: C12H13N
Molecular weight: 171.24

Names & synonyms

methyl[(naphthalen-2-yl)methyl]aminemethyl((naphthalen-2-yl)methyl)amineRefChem:818281879-214-976532-33-7N-methyl-1-(naphthalen-2-yl)methanamineN-methyl-N-(2-naphthylmethyl)amineN-Methyl-2-naphthalenemethanamineMethyl(naphthalen-2-ylmethyl)amineN-methyl-1-naphthalen-2-ylmethanaminemethyl-(naphthalen-2-ylmethyl)azaniumMFCD06366264

Show more names

N-methyl-1-(naphthalen-2-yl)Terbinafine Related Compound 2Methyl-2-naphthaleneMethylaMineN-Methyl(2-naphthyl)methanamineN-Methyl(naphthalen-2-yl)MethanaMine

N-Methylnaphthalene-2-methanamineTerbinafine Impurity 13DTXSID50337338N-Methyl-2-naphthalenemethylamineHMS1716J09methyl-naphthalen-2-ylmethyl-amineN-Methyl(2-naphthyl)methanamine #2-Naphthalenemethanamine, N-methyl-

Database identifiers

CAS: 76532-33-7
PubChem CID: 541935
DTXSID: DTXSID50337338
UNII: 6CL5BBW9ED
EC Number: 879-214-9
Nikkaji: J722.239D

Properties

Computed structural properties

XLogP: 2.5
Topological polar surface area: 12 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 13
Formal charge: 0
Complexity: 155

Physicochemical properties

Melting point: 232 · 232-233 °C
Boiling point: 90 °C · 90 °C(Press: 0.02 Torr)
Density: 1.036 · 1.036±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
pka: 9.5 · 9.50±0.10(Predicted)
Appearance: Colorless to light yellow Liquid
Symbol(GHS): 7 · GHS07,GHS05
Signal word: Danger
Hazard statements: 318 · H318-H302-H335-H315
Precautionary statements: 280 · P280-P305+P351+P338-P310-P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

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

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, 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.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

Signal word: Danger
Symbol(GHS): GHS07,GHS05
Hazard statements: H318-H302-H335-H315
Precautionary statements: P280-P305+P351+P338-P310-P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362

Chemistry & industry

Applications

UsesAn intermediate in the preparation of detoxification inhibitors of the crucifer phytoalexin Brassinin, as potential fungicides against Leptosphaeria maculans.