N-(2,4-dichlorobenzyl)propan-2-amine
Basic information
- CAS
46190-62-9- Standard SMILES
CC(C)NCc1ccc(Cl)cc1Cl- InChIKey
ZRTOSIHDTPDTMZ-UHFFFAOYSA-N- Molecular formula
- C10H13Cl2N
- Average molar mass
- 218.12 g/mol
- Monoisotopic mass
- 217.0425048
Names & identifiers
- Preferred name
- N-(2,4-dichlorobenzyl)propan-2-amine
- IUPAC
- N-[(2,4-dichlorophenyl)methyl]propan-2-amine
- English name
- 2,4-dichloro-N-isopropylbenzylamine
- Molecular formula
- C10H13Cl2N
- Molecular weight
- 218.12
Names & synonyms
46190-62-9N-(2,4-dichlorobenzyl)propan-2-amine2,4-Dichloro-N-isopropylbenzylamine[(2,4-dichlorophenyl)methyl](propan-2-yl)amineN-[(2,4-dichlorophenyl)methyl]propan-2-amine(2,4-Dichloro-benzyl)-isopropyl-amineMFCD001276954JPC4ACV8HEINECS 256-259-7((2,4-DICHLOROPHENYL)METHYL)(PROPAN-2-YL)AMINEUNII-4JPC4ACV8HBenzenemethanamine, 2,4-dichloro-N-(1-methylethyl)-
Show more names
2,4-Dichloro-N-(1-methylethyl)benzenemethanamine
SCHEMBL2647752DTXSID00196755ZRTOSIHDTPDTMZ-UHFFFAOYSA-N(2,4-Dichloro-benzyl)isopropylamineSTK511959AKOS000153921SB79212DA-05690
Database identifiers
- CAS
46190-62-9- PubChem CID
- 6452047
- DTXSID
DTXSID00196755- UNII
- 4JPC4ACV8H
- EC Number
- 256-259-7
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 150
Physicochemical properties
- Boiling point
- 126 · 126-127 °C(Press: 0.7 Torr)
- Density
- 1.158 · 1.158±0.06 g/cm3(Predicted)
- pka
- 8.47 · 8.47±0.19(Predicted)
- FDA UNII
- 4 JPC4ACV8H · 4JPC4ACV8H
Chemistry & industry
Applications
UsesN-(2,4-Dichlorobenzyl)propan-2-amine is used to create antagonists of the human glucagon receptors.
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Compound notes
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