Basic information
- CAS
881473-30-9- Standard SMILES
CCOc1cc(CN)cc(Cl)c1OCC- InChIKey
ZWDXKGWZHWHVHW-UHFFFAOYSA-N- Molecular formula
- C11H16ClNO2
- Average molar mass
- 229.7 g/mol
- Monoisotopic mass
- 229.0869564
Names & identifiers
- Preferred name
- (3-Chloro-4,5-diethoxyphenyl)methanamine
- IUPAC
- (3-chloro-4,5-diethoxyphenyl)methanamine
Names & synonyms
(3-chloro-4,5-diethoxyphenyl)methanamine881473-30-9RefChem:400070859-370-4SCHEMBL17131829AKOS000313224EN300-7473242
Database identifiers
- CAS
881473-30-9- PubChem CID
- 972785
- EC Number
- 859-370-4
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 44.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 180
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]
P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P332+P317, P362+P364, P363, 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%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…