Benzenemethanamine, 3-fluoro-N-(1-methylethyl)-
Basic information
- CAS
90389-87-0- Standard SMILES
CC(C)NCc1cccc(F)c1- InChIKey
LULJUYVORLDSFI-UHFFFAOYSA-N- Molecular formula
- C10H14FN
- Average molar mass
- 167.22 g/mol
- Monoisotopic mass
- 167.11102761
Names & identifiers
- Preferred name
- Benzenemethanamine, 3-fluoro-N-(1-methylethyl)-
- IUPAC
- N-[(3-fluorophenyl)methyl]propan-2-amine
- English name
- AIDS-011078
- Molecular formula
- C10H14FN
- Molecular weight
- 167.22
Names & synonyms
90389-87-0Benzenemethanamine, 3-fluoro-N-(1-methylethyl)-DTXSID30238117RefChem:324741DTXCID50160608N-(3-Fluorobenzyl)propan-2-amine[(3-fluorophenyl)methyl](propan-2-yl)amineN-[(3-fluorophenyl)methyl]propan-2-amine(3-Fluoro-benzyl)-isopropyl-amine3-FLUORO-N-(1-METHYLETHYL)-BENZENEMETHANAMINEMFCD08060644N-(3-fluorobenzyl)propan-2-amine hydrochloride
Show more names
AIDS-0110783-Fluoro-N-isopropylbenzylaMine, 97%3-Fluoro-N-(1-methylethyl)benzenemethanamine[(3-fluorophenyl)methyl](propan-2-yl)amine hydrochloride
N-(3-Fluorophenylmethyl)isopropylamine3-fluoro-n-isopropylbenzylamine(3-fluorobenzyl)isopropylamine hydrochlorideSCHEMBL3101040CHEMBL1178137SCHEMBL30779531ALBB-015148ZH0044
Database identifiers
- CAS
90389-87-0- PubChem CID
- 457579
- DTXSID
DTXSID30238117- ChEMBL
CHEMBL1178137- EC Number
- 991-354-3
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 125
Physicochemical properties
- Boiling point
- 205.5 · 205.5±15.0 °C(Predicted)
- Density
- 0.991 · 0.991±0.06 g/cm3(Predicted)
- storage temp.
- Store at Room Tem.
- pka
- 9.41 · 9.41±0.19(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
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
- P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…