Basic information
- CAS
13035-19-3- Standard SMILES
NC1CCNCC1- InChIKey
BCIIMDOZSUCSEN-UHFFFAOYSA-N- Molecular formula
- C5H12N2
- Average molar mass
- 100.16 g/mol
- Monoisotopic mass
- 100.10004839
Names & identifiers
- Preferred name
- 4-Piperidinamine
- IUPAC
- piperidin-4-amine
- English name
- 4-Aminopiperidine
- Molecular formula
- C5H12N2
- Molecular weight
- 100.16
Names & synonyms
4-Aminopiperidine13035-19-34-PIPERIDINAMINE4-amino-piperidineT2V5KG4WZUDTXSID80329842RefChem:97876DTXCID10280937700-302-9piperidin-4-amine4-Amino piperidinePiperidin-4-ylamine
Show more names
4-Amino4-AMINOPIPERDINEPiperidine-4-amine4-AMINOPIPERDINE 98+%4-Aminopiperidine 97%4-Aminopiperidine >
MFCD021793994-Piperidineamine4-piperidinamine dihydrochloride4-piperidylamineSCHEMBL62516SCHEMBL130024SCHEMBL146206CHEMBL174570
Database identifiers
- CAS
13035-19-3- PubChem CID
- 424361
- DTXSID
DTXSID80329842- ChEMBL
CHEMBL174570- UNII
- T2V5KG4WZU
- EC Number
- 700-302-9
- Nikkaji
- J81.534I
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 38.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 48
Physicochemical properties
- Melting point
- 25 °C · 25 °C
- Boiling point
- 65 °C · 65°C 18mm
- Density
- 0.945 g/mL · 0.945 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.4910(lit.)
- Flash point
- 230 °F · >230 °F
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- form
- Powder
- pka
- 10.37 · 10.37±0.20(Predicted)
- color
- Off-white to yellow
- Sensitive
- Hygroscopic
- BRN
- 1105 · 1105
- InChI
- 1S/C5H12N2/c6-5-1-3-7-4-2-5/h5,7H,1-4,6H2
- InChIKey
- BCIIMDOZSUCSEN-UHFFFAOYSA-N
- SMILES
- NC1CCNCC1
- CAS DataBase Reference
- 13035 · 13035-19-3(CAS DataBase Reference)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 2 · GHS02,GHS05
- Signal word
- Danger
- Hazard statements
- 226 · H226-H314
- Precautionary statements
- 210 · P210-P233-P240-P280-P303+P361+P353-P305+P351+P338
- PPE
- Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
- Hazard Codes
- C,Xi
- Risk Statements
- 10 · 10-34
- Safety Statements
- 16 · 16-23-26-36/37/39-45-6
- RIDADR
- 2920 · UN 2920 8/PG 2
- WGK Germany
- 3 · 3
- Hazard Note
- Irritant
- HazardClass
- 3 · 3
- PackingGroup
- III
- HS Code
- 29333990 · 29333990
- Storage Class
- 3 · 3 - Flammable liquids
- Hazard Classifications
- 3 Skin · Flam. Liq. 3Skin Corr. 1B
- Limited Quantities
- 1 Kg · 1 Kg (2.2 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
Safety & regulation
Safety data
- PPE
- Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
- wgk
- 3
- ridadr
- UN 2920 8/PG 2
- hs_code
- 29333990
- risk_code
- 10-34
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS05
- hazard_code
- C,Xi
- hazard_note
- Irritant
- safety_code
- 16-23-26-36/37/39-45-6
- hazard_class
- 3
- Storage Class
- 3 - Flammable liquids
- packing_group
- III
- Hazard statements
- H226-H314
- Limited Quantities
- 1 Kg (2.2 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
- Hazard Classifications
- Flam. Liq. 3Skin Corr. 1B
- Precautionary statements
- P210-P233-P240-P280-P303+P361+P353-P305+P351+P338
Chemistry & industry
Applications
UsesReactant for synthesis of 4-Aminopiperidine: Cdk5/p25 kinase inhibitors Antimalarials Selective cyclin-dependent kinase 4/6 inhibitors IKKβ inhibitors Orally bioavailable P2Y12 antagonists for inhibition of platelet aggregation Human and murine soluble epoxide hydrolase inhibitors
UsesReactant for synthesis of:Cdk5/p25 kinase inhibitorsAntimalarialsSelective cyclin-dependent kinase 4/6 inhibitorsIKKβ inhibitorsOrally bioavailable P2Y12 antagonists for inhibition of platelet aggregationHuman and murine soluble epoxide hydrolase inhibitors
Upstream & downstream products
Downstream products
Related reactions
53 records
Compound notes
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