1-(4-Fluorobenzyl)cyclopropanamine
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Basic information
- CAS
864961-01-3- Standard SMILES
NC1(Cc2ccc(F)cc2)CC1- InChIKey
XPPLAXOXGSXQLH-UHFFFAOYSA-N- Molecular formula
- C10H12FN
- Average molar mass
- 165.21 g/mol
- Monoisotopic mass
- 165.09537755
Names & identifiers
- Preferred name
- 1-(4-Fluorobenzyl)cyclopropanamine
- IUPAC
- 1-[(4-fluorophenyl)methyl]cyclopropan-1-amine
- English name
- 1-(4-Fluorobenzyl)cyclopropanamine
- Molecular formula
- C10H12FN
- Molecular weight
- 165.21
Names & synonyms
1-(4-fluorobenzyl)cyclopropanamine864961-01-31-[(4-fluorophenyl)methyl]cyclopropan-1-amine1-(4-Fluorobenzyl)cyclopropan-1-amine1-[(4-Fluorophenyl)methyl]cyclopropanamineSCHEMBL5349239XPPLAXOXGSXQLH-UHFFFAOYSA-N1-(4-Fluoro benzyl)cyclopropylamineMFCD09888603ZB1195AKOS011972495AB90922
Show more names
Cyclopropanamine, 1-[(4-fluorophenyl)methyl]-
DB-390471CS-0306911EN300-246745
Database identifiers
- CAS
864961-01-3- PubChem CID
- 21098544
Properties
Computed structural propertiesFilling in
- XLogP
- 1.7
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 157
Physicochemical properties
- Boiling point
- 229.7 · 229.7±13.0 °C(Predicted)
- Density
- 1.165 · 1.165±0.06 g/cm3(Predicted)
- storage temp.
- 0 · Store at 0-8 °C
- pka
- 8.3 · 8.30±0.20(Predicted)
- InChI
- InChI=1S/C10H12FN/c11-9-3-1-8(2-4-9)7-10(12)5-6-10/h1-4H,5-7,12H2
- InChIKey
- XPPLAXOXGSXQLH-UHFFFAOYSA-N
- SMILES
- C1(CC2=CC=C(F)C=C2)(N)CC1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405
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
- Signal word
- warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405
Suppliers
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Related reactions
2 records
Compound notes
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