Benzenemethanamine, 3-bromo-N-ethyl-
Basic information
- CAS
90389-91-6- Standard SMILES
CCNCc1cccc(Br)c1- InChIKey
ZKUHSZJORZCOFE-UHFFFAOYSA-N- Molecular formula
- C9H12BrN
- Average molar mass
- 214.1 g/mol
- Monoisotopic mass
- 213.01531
Names & identifiers
- Preferred name
- Benzenemethanamine, 3-bromo-N-ethyl-
- IUPAC
- N-[(3-bromophenyl)methyl]ethanamine
- English name
- N-Ethyl-3-bromobenzylamine
- Molecular formula
- C9H12BrN
- Molecular weight
- 214.1
Names & synonyms
90389-91-6Benzenemethanamine, 3-bromo-N-ethyl-DTXSID20238121RefChem:324739DTXCID40160612N-Ethyl-3-bromobenzylamineN-(3-Bromobenzyl)ethanamineN-[(3-bromophenyl)methyl]ethanamineMFCD07405019(3-bromobenzyl)ethylamine[(3-bromophenyl)methyl](ethyl)amine(3-bromobenzyl)-ethyl-amine
Show more names
3-Bromo-N-ethylbenzylamine3-Bromo-N-ethylbenzenemethanamine(3-bromobenzyl)ethylamine(SALTDATA: HCl)
SCHEMBL8583518CHEMBL1183033SCHEMBL28260686SCHEMBL29672948ZKUHSZJORZCOFE-UHFFFAOYSA-NQDA38991AKOS000154627AC-2680
Database identifiers
- CAS
90389-91-6- PubChem CID
- 457589
- DTXSID
DTXSID20238121- ChEMBL
CHEMBL1183033- EC Number
- 138-860-5
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
- 254.3 · 254.3±15.0 °C(Predicted)
- Density
- 1.307 · 1.307±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- pka
- 9.35 · 9.35±0.10(Predicted)
- Appearance
- Colorless to light yellow Liquid
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301
- Precautionary statements
- 280 · P280-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
- Danger
- Symbol(GHS)
- GHS06
- Hazard statements
- H301
- Precautionary statements
- P280-P305+P351+P338
Suppliers
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Related reactions
8 records
Compound notes
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