(2H3)Methylammonium chloride
Basic information
- CAS
7436-22-8- Standard SMILES
Cl.[2H]C([2H])([2H])N- InChIKey
NQMRYBIKMRVZLB-NIIDSAIPSA-N- Molecular formula
- CH6ClN
- Average molar mass
- 70.54 g/mol
- Monoisotopic mass
- 70.0377071
Names & identifiers
- Preferred name
- (2H3)Methylammonium chloride
- IUPAC
- trideuteriomethanamine;hydrochloride
- English name
- Methyl-d3-amine hydrochloride
- Molecular formula
- CH2D3N.ClH
- Molecular weight
- 70.54
Names & synonyms
Methyl-d3-amine hydrochloride7436-22-8(2H3)Methylammonium chlorideEINECS 231-089-6Methan-d3-amine, hydrochlorideDTXSID50225362RefChem:396725DTXCID50147853231-089-6946-334-9Methylamine-d3 HydrochlorideMETHYL-D3-AMINE HCL
Show more names
Methan-d3-amine hydrochlorideMethyl-d3-amine monohydrochlorideMETHYL-D3-AMINE HYDROCHLORIDE, 99 ATOM % DEOS-61951Methyl-D3-amineClMEHYL AMINE-D3.HCLD3-Methyl-amine HClMETHYL-D3-AMMONIUM CHLORIDE
Trideuteriomethanamine;hydrochlorideMFCD00064559METHYL-D3-AMINE:HCL (D)trideuteriomethanamine hydrochloridetrideuteriomethanamine,hydrochlorideMethyl-d3-amine Hydrochloride; Methyl-d3-amine Monohydrochloride; Methyl-d3-ammonium Chloride; Monomethyl-d3-ammonium Chloride; Methyl-d3-amine HClCH3ClD3N7KP3MK6Q4P
Database identifiers
- CAS
7436-22-8- PubChem CID
- 2723974
- DTXSID
DTXSID50225362- UNII
- 7KP3MK6Q4P
- EC Number
- 231-089-6、946-334-9
Properties
Computed structural properties
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 3
- Formal charge
- 0
- Complexity
- 2
Physicochemical properties
- Melting point
- 232 · 232-234 °C(lit.)
- solubility
- DMSO, Methanol, Water (Slightly)
- form
- Solid
- color
- White to Off-White
- Major Application
- pharmaceutical
- InChI
- InChI=1S/CH5N.ClH/c1-2;/h2H2,1H3;1H/i1D3;
- InChIKey
- NQMRYBIKMRVZLB-NIIDSAIPSA-N
- SMILES
- C([2H])([2H])([2H])N.Cl
- CAS DataBase Reference
- 7436 · 7436-22-8
- UNSPSC Code
- 12352116 · 12352116
- NACRES
- 12 · NA.12
- CAS Number Unlabeled
- 593 · 593-51-1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
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
H315 (97.5%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Danger
H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
Hazard information
Hazard Classes and Categories
Skin Irrit. 2 (97.5%)
Eye Dam. 1 (100%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Acute Tox. 4 Oral
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Applications
UsesMethylaMine-d3 Hydrochloride is useful in preparation of deuterated diphenylurea derivatives as phosphokinase inhibitors.
Preparation methods
Preparation(i) reacting nitromethane with deuterium water under the presence of a base and a phase transfer catalyst to give deuterated nitromethane; and reducing the deuterated nitromethane in an inert solvent to form deuterated methylamine; then optionally reacting the deuterated methylamine with an acid to form METHYL-D3-AMINE HYDROCHLORIDE; or (ii) reacting N-(1,1,1-trideuterated methyl)benzosuccinimide with an acid to form METHYL-D3-AMINE HYDROCHLORIDE.
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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