Basic information
- CAS
13426-94-3- Standard SMILES
C[NH2+]Cc1ccccc1.[Cl-]- InChIKey
CBSOFSBFHDQRLV-UHFFFAOYSA-N- Molecular formula
- C8H12ClN
- Average molar mass
- 157.64 g/mol
- Monoisotopic mass
- 157.0658271
Overview
See also: Methylbenzylamine hydrochloride (preferred).
Names & identifiers
- Preferred name
- Benzyl(methyl)azanium chloride
- IUPAC
- benzyl(methyl)azanium chloride
- English name
- N-Methylbenzylamine Hydrochloride
- Molecular formula
- C8H12ClN
- Molecular weight
- 158
Names & synonyms
benzyl(methyl)azanium chloridebenzyl(methyl)azanium;chlorideUSAF EL-81UNII-JQP1JP335Imethyl benzyl ammonium chlorideHTS11952PALO-001Benzylmethylamine hydrochlorideMethylbenzylamine hydrochlorideN-Methylbenzylamine HydrochlorideBenzenemethanamine,N-methyl-, hydrochloride (1:1)
Database identifiers
- CAS
13426-94-3- PubChem CID
- 25979
Properties
Computed structural properties
- Topological polar surface area
- 16.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 65
Physicochemical properties
- Melting point
- 177 · 177-178 °C(Solv: ethanol (64-17-5))
- FDA UNII
- 1 JP335I · JQP1JP335I
Chemistry & industry
Applications
UsesN-Methylbenzylamine Hydrochloride is an intermediate in the synthesis of a metabolite of Tramadol (T712500), an analgesic.
Upstream & downstream products
Downstream products
Suppliers17 total
盐城通铭生物科技有限公司15195160625 · [email protected]
广州隽唐科技有限公司020-36607679 13502246435 · [email protected]
广东元丰化学试剂有限公司0751-2829979 13318593351 · [email protected]
希瓦生物科技（广州）有限公司13268215580 · [email protected]
上海健超生物科技有限公司15021035486 18081542813 · [email protected]
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
长沙晶康新材料科技有限公司0731-85118349 18874718518 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
安阳鸿蒙新材料有限公司19588588067 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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