(R)-1-Boc-2-isopropylpiperazine

HCID 24820392CAS 674792-04-2

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Basic information

Standard SMILES: CC(C)[C@@H]1CNCCN1C(=O)OC(C)(C)C
InChIKey: NZTWGWFHWJARJX-JTQLQIEISA-N
Molecular formula: C12H24N2O2
Average molar mass: 228.33 g/mol
Monoisotopic mass: 228.18377801

Names & identifiers

Preferred name: (R)-1-Boc-2-isopropylpiperazine
IUPAC: tert-butyl (2R)-2-propan-2-ylpiperazine-1-carboxylate
English name: (R)-2-ISOPROPYL-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
Molecular formula: C12H24N2O2
Molecular weight: 228.33

Names & synonyms

674792-04-2(R)-1-Boc-2-isopropylpiperazine(R)-1-Boc-2-isopropyl-piperazine(R)-1-Boc- 2-isopropyl-piperazineMFCD07772101(R)-tert-butyl 2-isopropylpiperazine-1-carboxylateTERT-BUTYL (2R)-2-(PROPAN-2-YL)PIPERAZINE-1-CARBOXYLATEtert-Butyl (2R)-2-isopropylpiperazine-1-carboxylate1-Piperazinecarboxylic acid, 2-(1-methylethyl)-, 1,1-dimethylethyl ester,(2R)-tert-butyl (R)-2-isopropylpiperazine-1-carboxylate(R)-1-Boc-2-(isopropyl)piperazineCS-W008681

Show more names

(R)-1-N-BOC-2-ISOPROPYL PIPERAZINEtert-Butyl (2R)-2-(1-methylethyl)-1-piperazinecarboxylate(R)-2-ISOPROPYL-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER1,1-Dimethylethyl (2R)-2-(1-methylethyl)-1-piperazinecarboxylate(2R)-2-Isopropyl-1-piperazinecarboxylic Acid 1,1-Dimethylethyl Ester

tert-butyl (2R)-2-propan-2-ylpiperazine-1-carboxylateA25979tert-Butyl (2R)-2-isopropylSCHEMBL3618472DTXSID10647501SBB056113(2R)-1-N-Boc-2-isopropylpiperazineAKOS005258579

Database identifiers

CAS: 674792-04-2
PubChem CID: 24820392
DTXSID: DTXSID10647501

Properties

Computed structural properties

XLogP: 1.9
Topological polar surface area: 41.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 16
Formal charge: 0
Complexity: 246

Physicochemical properties

Boiling point: 298.4 · 298.4±15.0 °C(Predicted)
Density: 0.98 · 0.980±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
pka: 8.41 · 8.41±0.40(Predicted)
Appearance: Colorless to light yellow Liquid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319
Precautionary statements: 264 · P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362
HS Code: 2933599590 · 2933599590

Safety & regulation

Safety data

hs_code: 2933599590
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H315-H319
Precautionary statements: P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362