CAS 127285-08-9 1-(Propan-2-yl)piperidin-4-amine (HCID 3163333)

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Basic information

CAS: 127285-08-9
Standard SMILES: CC(C)N1CCC(N)CC1
InChIKey: ZRQQXFMGYSOKDF-UHFFFAOYSA-N
Molecular formula: C8H18N2
Average molar mass: 142.24 g/mol
Monoisotopic mass: 142.14699858

Names & identifiers

Preferred name: 1-(Propan-2-yl)piperidin-4-amine
IUPAC: 1-propan-2-ylpiperidin-4-amine
English name: 1-Isopropyl-piperidin-4-ylamine
Molecular formula: C8H18N2
Molecular weight: 142.24

Names & synonyms

1-(propan-2-yl)piperidin-4-amineRefChem:428469678-581-0127285-08-91-isopropylpiperidin-4-amine4-Amino-1-isopropylpiperidine1-Isopropyl-piperidin-4-ylamine1-propan-2-ylpiperidin-4-amine4-PIPERIDINAMINE, 1-(1-METHYLETHYL)-4-Amino-1-isopropyl-piperidineMFCD034116061-ISOPROPYL-4-PIPERIDINAMINE

Show more names

AKOS B016068ART-CHEM-BB B016068TIMTEC-BB SBB0093901-IsoPropyl-4-piperidineamine4-AMINO-1-ISOPROPYL PIPERIDINE(1-isopropyl-4-piperidyl)amine1-propan-2-yl-4-piperidinamineN-ISO-PROPYL-4-AMINO-PIPERIDINE

1-(methylethyl)-4-piperidylamine1-Isopropylpiperidin-4-ylamine1-(1-Methylethyl)Piperidin-4-AmineN-isopropyl-4-aminopiperidine1-isopropyl-4-aminopiperidineSCHEMBL2225441- isopropylpiperidin-4-amineSCHEMBL1885534

Database identifiers

CAS: 127285-08-9
PubChem CID: 3163333
DTXSID: DTXSID20390339
ChEMBL: CHEMBL5399245
EC Number: 678-581-0

Properties

Computed structural properties

XLogP: 0.7
Topological polar surface area: 29.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 10
Formal charge: 0
Complexity: 93

Physicochemical properties

Boiling point: 173.2 · 173.2±8.0 °C(Predicted)
Density: 0.904 · 0.904±0.06 g/cm3(Predicted)
refractive index: 1.472 to · 1.4720 to 1.4760
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
form: clear liquid
pka: 10.51 · 10.51±0.20(Predicted)
color: Colorless to Almost colorless
InChI: InChI=1S/C8H18N2/c1-7(2)10-5-3-8(9)4-6-10/h7-8H,3-6,9H2,1-2H3
InChIKey: ZRQQXFMGYSOKDF-UHFFFAOYSA-N
SMILES: N1(C(C)C)CCC(N)CC1
CAS DataBase Reference: 127285 · 127285-08-9(CAS DataBase Reference)
Symbol(GHS): 5 · GHS05,GHS02
Signal word: Danger
Hazard statements: 226 · H226-H314
Precautionary statements: 280 · P280-P210-P309+P311

Safety & regulation

Safety data

ridadr: UN 2920 8/3/PG II
hs_code: 2933399990
risk_code: 36/37/38-36-22
Signal word: Danger
Symbol(GHS): GHS05,GHS02
hazard_code: Xi,Xn
safety_code: 26-36/37/39
hazard_class: IRRITANT
packing_group: II
Hazard statements: H226-H314
Precautionary statements: P280-P210-P309+P311

Chemistry & industry

Applications

Uses1-Isopropylpiperidin-4-amine is used as a pharmaceutical intermediate compound for the preparation of antiviral compounds or small molecule bioactive inhibitors.