(2-Aminoethyl)(ethyl)[(3-fluorophenyl)methyl]amine
Basic information
- CAS
1247567-61-8- Standard SMILES
CCN(CCN)Cc1cccc(F)c1- InChIKey
CYSKDKJKTCAVEI-UHFFFAOYSA-N- Molecular formula
- C11H17FN2
- Average molar mass
- 196.26 g/mol
- Monoisotopic mass
- 196.13757671
Names & identifiers
- Preferred name
- (2-Aminoethyl)(ethyl)[(3-fluorophenyl)methyl]amine
- IUPAC
- N'-ethyl-N'-[(3-fluorophenyl)methyl]ethane-1,2-diamine
Names & synonyms
1247567-61-8(2-AMINOETHYL)(ETHYL)[(3-FLUOROPHENYL)METHYL]AMINE(2-aminoethyl)(ethyl)((3-fluorophenyl)methyl)amineRefChem:395351837-116-3N*1*-Ethyl-N*1*-(3-fluoro-benzyl)-ethane-1,2-diamineN1-ethyl-N1-(3-fluorobenzyl)ethane-1,2-diamineN'-ethyl-N'-[(3-fluorophenyl)methyl]ethane-1,2-diamineCHEMBL6170957AKOS010607011EN300-903270
Database identifiers
- CAS
1247567-61-8- PubChem CID
- 61350856
- ChEMBL
CHEMBL6170957- EC Number
- 837-116-3
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 29.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 152
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
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P363, 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 CategoriesSkin Corr. 1B (100%)
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Related reactions
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Compound notes
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