N-benzyl-3-chloro-N-methylpropan-1-amine
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Basic information
- CAS
3161-52-2- Standard SMILES
CN(CCCCl)Cc1ccccc1- InChIKey
XOVAMNMHLZQZJL-UHFFFAOYSA-N- Molecular formula
- C11H16ClN
- Average molar mass
- 197.7 g/mol
Names & identifiers
- Preferred name
- N-benzyl-3-chloro-N-methylpropan-1-amine
- IUPAC
- N-benzyl-3-chloro-N-methylpropan-1-amine
- English name
- 3-Chloropropyl-N-benzylmethylamine
- Molecular formula
- C11H16ClN
- Molecular weight
- 197.7
Names & synonyms
3161-52-2N-benzyl-3-chloro-N-methylpropan-1-amineBENZYL(3-CHLOROPROPYL)METHYLAMINEBenzenemethanamine, N-(3-chloropropyl)-N-methyl-N-benzyl-3-chloro-N-methylpropylamine3-Chloropropyl-N-benzylmethylamineSCHEMBL2058653XOVAMNMHLZQZJL-UHFFFAOYSA-NDAA16152AKOS0105418923-(N-benzyl-N-methylamino)-propyl chloride3-(N-benzyl-N-methyl-amino)-propyl chloride
Show more names
EN300-130938
Database identifiers
- CAS
3161-52-2- PubChem CID
- 22067
- EC Number
- 608-652-3
Properties
Computed structural propertiesFilling in
- XLogP
- 2.7
- Topological polar surface area
- 3.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 121
Physicochemical properties
- Boiling point
- 131 · 131-133 °C(Press: 11 Torr)
- Density
- 1.038 · 1.038±0.06 g/cm3(Predicted)
- pka
- 8.29 · 8.29±0.50(Predicted)
Chemistry & industry
Applications
UsesN-Benzyl-N-methyl-3-chloropropyl-d6-amine is the labeled analogue of N-Benzyl-N-methyl-3-chloropropylamine, a reactant used in the synthesis of 3-substituted-4-aryl-1,4-dihydropyrimidine-5-carboxylic acid ester derivatives as antihypertensive agents.
Upstream & downstream products
Downstream products
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Related reactions
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Compound notes
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