CAS 111669-25-1 tert-Butyl 4-(3-aminopyridin-2-yl)piperazine-1-carboxylate (HCID 2756375)

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Basic information

CAS: 111669-25-1
Standard SMILES: CC(C)(C)OC(=O)N1CCN(c2ncccc2N)CC1
InChIKey: CBTYZJKYXVDWOG-UHFFFAOYSA-N
Molecular formula: C14H22N4O2
Average molar mass: 278.35 g/mol
Monoisotopic mass: 278.17427594

Names & identifiers

Preferred name: tert-Butyl 4-(3-aminopyridin-2-yl)piperazine-1-carboxylate
IUPAC: tert-butyl 4-(3-amino-2-pyridinyl)piperazine-1-carboxylate
English name: 3-Amino-2-[4-butoxycarbonyl(piperazino)]pyridine
Molecular formula: C14H22N4O2
Molecular weight: 278.35

Names & synonyms

111669-25-1Tert-butyl 4-(3-aminopyridin-2-yl)piperazine-1-carboxylateDTXSID00373347RefChem:893685DTXCID00324379672-812-91-Boc-4-(3-Aminopyridin-2-yl)piperazineMFCD03407996MFCD03425143SCHEMBL3335222AKOS009505243DS-1005

Show more names

BUTTPARK 46\04-67Palbociclib Impurity 1691-Boc-4-(3-Aminopyridin-2-yl)3-AMINO-2-[4-BUTOXYCARBONYL(PIPERAZINO)]PYRIDINEbutyl 4-(3-aminopyridin-2-yl)piperazine-1-carboxylate3-Amino-2-[4-tert-butoxycarbonyl(piperazino)]pyridinetert-butyl 4-(3-amino-2-pyridyl)piperazine-1-carboxylateert-butyl4-(3-aminopyridin-2-yl)piperazine-1-carboxylate

2-(4-Boc-1-piperazinyl)pyridin-3-amineSCHEMBL29741422SBB051913SY070156TS-00963CS-0067942C71388EN300-3364856

Database identifiers

CAS

Properties

Computed structural properties

XLogP: 1.3
Topological polar surface area: 71.7 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 3
Heavy atoms: 20
Formal charge: 0
Complexity: 335

Physicochemical properties

Boiling point: 448.8 · 448.8±45.0 °C(Predicted)
Density: 1.182 · 1.182±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
pka: 9.35 · 9.35±0.29(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
Hazard Codes: T
Risk Statements: 25 · 25-36/37/38
Safety Statements: 45 · 45-37-26
HS Code: 29339900 · 29339900

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (75%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.