Basic information
- CAS
418792-57-1- Standard SMILES
COc1ccc(CNCc2cccc(F)c2)cc1- InChIKey
SAEBHLLFWLCZQP-UHFFFAOYSA-N- Molecular formula
- C15H16FNO
- Average molar mass
- 245.29 g/mol
- Monoisotopic mass
- 245.1215923
Names & identifiers
- Preferred name
- (3-Fluoro-benzyl)-(4-methoxy-benzyl)-amine
- IUPAC
- N-[(3-fluorophenyl)methyl]-1-(4-methoxyphenyl)methanamine
- English name
- (3-Fluoro-benzyl)-(4-methoxy-benzyl)-amine
- Molecular formula
- C15H16FNO
- Molecular weight
- 245.29
Names & synonyms
418792-57-1(3-Fluoro-benzyl)-(4-methoxy-benzyl)-amineDTXSID50355113RefChem:207654DTXCID80306173N-(3-Fluorobenzyl)-1-(4-methoxyphenyl)methanamineN-[(3-fluorophenyl)methyl]-1-(4-methoxyphenyl)methanamineC15H16FNO(3-FLUOROBENZYL)(4-METHOXYBENZYL)AMINE3011AE[(3-fluorophenyl)methyl][(4-methoxyphenyl)methyl]amineOprea1_319464
Show more names
AKOS JY2025875CHEMBRDG-BB 5576439UKRORGSYN-BB BBV-126615N-(3-Fluorobenzyl)-4-MethoxybenzylaMine, 97%(3-fluorobenzyl)(4-methoxybenzyl)amine(SALTDATA: HBr)Benzenemethanamine, 3-fluoro-N-[(4-methoxyphenyl)methyl]-
Oprea1_854191AKOS000233028SB80636ST064917AB00090018-01AG-690/118223871-(3-Fluorophenyl)-N-[(4-methoxyphenyl)methyl]methanamineN-[(3-fluorophenyl)methyl][4-(methyloxy)phenyl]methanamine
Database identifiers
- CAS
418792-57-1
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 21.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 229
Physicochemical properties
- Boiling point
- 344.4 · 344.4±27.0 °C(Predicted)
- Density
- 1.115 · 1.115±0.06 g/cm3(Predicted)
- pka
- 8.79 · 8.79±0.20(Predicted)
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hazard_code
- Xi
- hazard_class
- IRRITANT
Chemistry & industry
Suppliers4 total
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
广州市金华大化学试剂有限公司020-84383047 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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