N-(3-Chlorobenzyl)ethanamine
Basic information
- CAS
39180-82-0- Standard SMILES
CCNCc1cccc(Cl)c1- InChIKey
KHDVRWXQCOMYKQ-UHFFFAOYSA-N- Molecular formula
- C9H12ClN
- Average molar mass
- 169.65 g/mol
- Monoisotopic mass
- 169.0658271
Names & identifiers
- Preferred name
- N-(3-Chlorobenzyl)ethanamine
- IUPAC
- N-[(3-chlorophenyl)methyl]ethanamine
- English name
- N-Ethyl-m-chlorobenzylamine
- Molecular formula
- C9H12ClN
- Molecular weight
- 169.65
Names & synonyms
39180-82-0N-(3-Chlorobenzyl)ethanamineN-[(3-chlorophenyl)methyl]ethanamine3-Chloro-N-ethylbenzylamineBenzenemethanamine, 3-chloro-N-ethyl-(3-Chloro-benzyl)-ethyl-amineN-Ethyl-M-chlorobenzylamine[(3-chlorophenyl)methyl](ethyl)amineMFCD00045195N-(3-Chlorobenzyl)SCHEMBL3514620SCHEMBL3514622
Show more names
N-ETHYL-M-CHLOROBENZYLAMINE HYDROCHLORIDE Salt
SCHEMBL4330002CHEMBL1185920SCHEMBL29868670DTXSID001924193-Chloro-N-ethylbenzenemethanaminePBA18082AKOS000151625CS-W001009
Database identifiers
- CAS
39180-82-0- PubChem CID
- 457583
- DTXSID
DTXSID00192419- ChEMBL
CHEMBL1185920- EC Number
- 160-631-3
- Nikkaji
- J545.030F
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 106
Physicochemical properties
- Boiling point
- 226.7 · 226.7±15.0 °C(Predicted)
- Density
- 1.063 · 1.063±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- pka
- 9.36 · 9.36±0.10(Predicted)
- Appearance
- Colorless to light yellow Liquid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Suppliers
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Related reactions
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Compound notes
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