2-Methylbenzylamine
Basic information
- CAS
89-93-0- Standard SMILES
Cc1ccccc1CN- InChIKey
CJAAPVQEZPAQNI-UHFFFAOYSA-N- Molecular formula
- C8H11N
- Average molar mass
- 121.18 g/mol
- Monoisotopic mass
- 121.08914935
Overview
structure
Names & identifiers
- Preferred name
- 2-Methylbenzylamine
- IUPAC
- (2-methylphenyl)methanamine
- English name
- 2-Methylbenzylamine
- Molecular formula
- C8H11N
- Molecular weight
- 121.18
Names & synonyms
2-Methylbenzylamine89-93-0o-MethylbenzylamineBenzenemethanamine, 2-methyl-alpha-Amino-o-xylenealpha-Amino-2-xyleneNSC-30466Z5G4SJ5XMNDTXSID3059000RefChem:88268DTXCID6048670201-952-1
Show more names
NSC 30466WLN: Z1R B12-Xylylamineα-Amino-o-xyleneAKOS BBS-00006790
o-Tolylmethanamineo-Xylylamine1-(2-methylphenyl)methanamine(2-Methylphenyl)methanamine2-methylbenzenemethanamineBENZYLAMINE, o-METHYL-MFCD000081122-methylbenzyl amine
Database identifiers
- CAS
89-93-0- PubChem CID
- 6993
- DTXSID
DTXSID3059000- ChEMBL
CHEMBL268246- UNII
- Z5G4SJ5XMN
- EC Number
- 201-952-1
- Nikkaji
- J41.838B
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 80.6
Experimental & physicochemical properties
Chemical ClassesNitrogen Compounds -> Amines, Aromatic
SpringerMaterials PropertiesOptical coefficient
LogP1.62
Physical DescriptionColorless liquid; [Sigma-Aldrich MSDS]
Physicochemical properties
- Melting point
- -30 °C · -30°C
- Boiling point
- 199 °C · 199 °C(lit.)
- Density
- 0.977 g/mL · 0.977 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.544(lit.)
- Flash point
- 183 °F · 183 °F
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- form
- Liquid
- pka
- 9.24 · 9.24±0.10(Predicted)
- Specific Gravity
- 0.98 · 0.98
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
Danger
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 47 reports by companies from 5 notifications to the ECHA C&L Inventory.
Hazard information
Hazards SummaryIntravenous LD50 (mouse) = 56 mg/kg; [RTECS] Causes burns; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; [Sigma-Aldrich MSDS] See alpha-Methylbenzylamine. See o-Toluidine.
Hazard Classes and CategoriesSkin Corr. 1B (100%)
Toxicology
Adverse EffectsDermatotoxin - Skin burns.
Safety data
- PPE
- Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- DP5800000
- ridadr
- UN 2735 8/PG 2
- hs_code
- 29214990
- risk_code
- 34
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzenemethanamine, 2-methyl-: ACTIVE
Applications
Uses2-Methylbenzylamine is a methylated benzylamine used in the preparation of various bioactive compounds such as anticonvulsants and antiviral agents.
Uses2-Methylbenzylamine, is used in the preparation of boc-2-alkylanilines: N- (tert-butoxycarbonyl)-1-methylbenzylamine
Upstream & downstream products
Upstream raw materials
Related reactions
75 records
Compound notes
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