Basic information
- CAS
14489-75-9- Standard SMILES
CNCc1cccc2ccccc12- InChIKey
MQRIUFVBEVFILS-UHFFFAOYSA-N- Molecular formula
- C12H13N
- Average molar mass
- 171.24 g/mol
- Monoisotopic mass
- 171.10479942
Names & identifiers
- Preferred name
- N-Methyl-N-naphthylmethylamine
- IUPAC
- N-methyl-1-naphthalen-1-ylmethanamine
- English name
- 1-Methyl-aminomethyl naphthalene
- Molecular formula
- C12H13N
- Molecular weight
- 171.24
Names & synonyms
Show more names
Database identifiers
- CAS
14489-75-9- PubChem CID
- 84474
- DTXSID
DTXSID00162834- UNII
- DWX2R0PS9P
- EC Number
- 238-497-3
- Nikkaji
- J241.269A
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 155
Physicochemical properties
- Melting point
- 189.5 · 189.5-190 °C
- Boiling point
- 104 °C · 104 °C
- Density
- 1 · 1,05 g/cm3
- refractive index
- 1.616 · 1.6160-1.6190
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- solubility
- Chloroform (Slightly), Ethyl Acetate (Slightly)
- form
- clear liquid
- pka
- 9.38 · 9.38±0.10(Predicted)
- color
- Colorless to Orange to Green
- PH
- 10.71 at · 10.71 at 24℃ and 10g/L
- InChI
- InChI=1S/C12H13N/c1-13-9-11-7-4-6-10-5-2-3-8-12(10)11/h2-8,13H,9H2,1H3
- InChIKey
- MQRIUFVBEVFILS-UHFFFAOYSA-N
- SMILES
- C1(CNC)=C2C(C=CC=C2)=CC=C1
- CAS DataBase Reference
- 14489 · 14489-75-9(CAS DataBase Reference)
- FDA UNII
- 2 R0PS9P · DWX2R0PS9P
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36/37/39
- HS Code
- 2921.49 · 2921.49.5000
- HazardClass
- IRRITANT
- REACH Registrations
- Active
Safety & regulation
GHS classification
GHS Classification
Danger
H301 (33.3%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P273, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 12 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
REACH registered substance: N-methylnaphthalene-1-methylamine (EC: 238-497-3)
1-Naphthalenemethanamine, N-methyl-: Does not have an individual approval but may be used under an appropriate group standard
Safety data
- hs_code
- 2921.49.5000
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36/37/39
- hazard_class
- IRRITANT
- Hazard statements
- H315-H319
- REACH Registrations
- Active
- Precautionary statements
- P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Chemistry & industry
Applications
Uses1-Methyl-aminomethyl naphthalene has been used as reagent for the determination of isocyanates in air by UV or fluorescence detection. 1-Methyl-aminomethyl naphthalene has been used in the preparation of key intermediate required for the synthesis of terbinafine.
UsesTerbinafine EP Impurity A. Terbinafine BP Impurity A. Terbinafine USP Related Compound A
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
Related reactions
Compound notes
Loading…