Basic information
- CAS
2246-44-8- Standard SMILES
Cc1ccc2ccccc2c1N- InChIKey
JMBLSGAXSMOKPN-UHFFFAOYSA-N- Molecular formula
- C11H11N
- Average molar mass
- 157.21 g/mol
- Monoisotopic mass
- 157.08914935
Overview
2-methylnaphthalen-1-amine is a naphthalene substituted by an amino group at position 1 and a methyl group at position 2. It has a role as a bacterial metabolite. It is a member of methylnaphthalenes, an aminonaphthalene and a primary arylamine.
Names & identifiers
- Preferred name
- 2-Methyl-1-naphthylamine
- IUPAC
- 2-methylnaphthalen-1-amine
- English name
- 1-Amino-2-methylnaphthalene
- Molecular formula
- C11H11N
- Molecular weight
- 157.21
Names & synonyms
1-Amino-2-methylnaphthalene2246-44-82-Methyl-1-naphthylamine2-Methyl-1-naphthalenamine2-Methyl-1-naftylamin2-Methyl-1-naftylamin [Czech]1-NAPHTHYLAMINE, 2-METHYL-BRN 2042530UEU388PI4WDTXSID401769953-12-00-03102 (Beilstein Handbook Reference)RefChem:474904
Show more names
2-METHYLNAPHTHYLAMINE2-Methyl-1-naphtylamine2-methyl-1-naphthylamin1-Amino-2-methylphthalene1-Amino-2-methylnaphtalene2-Methyl-1-aminonaphthalene
DTXCID1099486629-014-02-methylnaphthalen-1-amineC11H11NMFCD00059135SCHEMBL157730AKOS006221190A0917
Database identifiers
- CAS
2246-44-8- PubChem CID
- 16733
- DTXSID
DTXSID40176995- ChEBI
CHEBI:233447- UNII
- UEU388PI4W
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 155
Experimental & physicochemical properties
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Physicochemical properties
- Melting point
- 28 · 28-31 °C(lit.)
- Boiling point
- 165 °C · 165 °C
- Density
- 1.67 · 1.67
- refractive index
- 20 · n20/D 1.670
- Flash point
- 28 °C · 28 °C
- storage temp.
- 2 · 2-8°C
- solubility
- Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
- form
- powder to lump to clear liquid
- pka
- 4.78 · 4.78±0.10(Predicted)
- color
- White or Colorless to Brown
- BRN
- 2042530 · 2042530
- Stability
- Light Sensitive
- InChI
- InChI=1S/C11H11N/c1-8-6-7-9-4-2-3-5-10(9)11(8)12/h2-7H,12H2,1H3
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 5 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- rtecs
- QM3675000
- hs_code
- 2921490090
- risk_code
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 26-36
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302
- Hazard Classifications
- Acute Tox. 4 Oral
- Precautionary statements
- P264-P270-P301+P312-P501
Chemistry & industry
Applications
Uses1-Amino-2-Methylnaphthalene is used in preparation of (Piperazinyl)pyridopyrimidinone derivatives as KRAS G12C inhibitor for treatment of KRAS G12C-related diseases.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
Related reactions
15 records
Compound notes
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