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5-Fluoro-2-piperidin-1-yl-phenylamine

HCID 6485403
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Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
252758-87-5
Standard SMILES
Nc1cc(F)ccc1N1CCCCC1
InChIKey
CCSBEAVDBGCSOQ-UHFFFAOYSA-N
Molecular formula
C11H15FN2
Average molar mass
194.25 g/mol
Monoisotopic mass
194.12192665

Names & identifiers

Preferred name
5-Fluoro-2-piperidin-1-yl-phenylamine
IUPAC
5-fluoro-2-piperidin-1-ylaniline
English name
5-Fluoro-2-piperidin-1-yl-phenylamine
Molecular formula
C11H15FN2
Molecular weight
194.25

Names & synonyms

252758-87-55-fluoro-2-(piperidin-1-yl)aniline5-Fluoro-2-piperidin-1-yl-phenylamine5-fluoro-2-piperidin-1-ylanilineMFCD049710235-Fluoro-2-(1-piperidyl)aniline5-fluoro-2-piperidylphenylamineSCHEMBL3485151CCSBEAVDBGCSOQ-UHFFFAOYSA-N5-fluoro-2-(1-piperidinyl)anilineCKA75887SBB009590
Show more names
AKOS B022014BUTTPARK 83\09-85ART-CHEM-BB B022014TIMTEC-BB SBB009590Benzenamine, 5-fluoro-2-(1-piperidinyl)-
AKOS0002220865-Fluoro-2-(1-piperidinyl)benzenamineSB41840DB-398533CS-0256977ST45123312ST50334257EN300-65756

Database identifiers

CAS
252758-87-5
PubChem CID
6485403
EC Number
197-156-6

Properties

Computed structural properties

XLogP
2.3
Topological polar surface area
29.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
1
Heavy atoms
14
Formal charge
0
Complexity
180

Physicochemical properties

Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
302 · H302-H315-H319-H335
Precautionary statements
280 · P280-P305+P351+P338
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

Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
Xi
hazard_class
IRRITANT
Hazard statements
H302-H315-H319-H335
Precautionary statements
P280-P305+P351+P338

Chemistry & industry

Upstream & downstream products

Upstream raw materials

1-(4-Fluoro-2-nitrophenyl)piperidine

Suppliers

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Related reactions

8 records
New reaction record
HRID 691270 reaction equation
HRID 691270As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID 822096 reaction equation
HRID 822096As productTest data from https://doi.org/10.1039/C8SC04228D
HRID 2099101 reaction equation
HRID 2099101As productuspto-grants-2009_08
HRID 2099102 reaction equation
HRID 2099102As reactantuspto-grants-2009_08
HRID 2195660 reaction equation
HRID 2195660As productuspto-grants-2012_12
HRID 2195661 reaction equation
HRID 2195661As reactantuspto-grants-2012_12
HRID 2410301 reaction equation
HRID 2410301As productuspto-grants-2014_08
HRID 2410302 reaction equation
HRID 2410302As reactantuspto-grants-2014_08

Compound notes

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