tert-butyl 4-aminopiperidine-1-carboxylate

• ChemBase ID: 15045
• Molecular Formular: C10H20N2O2
• Molecular Mass: 200.278
• Monoisotopic Mass: 200.15247789
• SMILES: N1(CCC(CC1)N)C(=O)OC(C)(C)C
• Canonical SMILES: NC1CCN(CC1)C(=O)OC(C)(C)C
• InChI: InChI=1S/C10H20N2O2/c1-10(2,3)14-9(13)12-6-4-8(11)5-7-12/h8H,4-7,11H2,1-3H3
• InChIKey: LZRDHSFPLUWYAX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl 4-aminopiperidine-1-carboxylate
• IUPAC Traditional name: tert-butyl 4-aminopiperidine-1-carboxylate
• Synonyms: 1-N-BOC-4-aminopiperidine; tert-Butyl 4-aminopiperidine-1-carboxylate; 4-Amino-1-(tert-butoxycarbonyl)piperidine; 4-Aminopiperidine, N1-BOC protected 97%; 1-Boc-4-Aminopiperidine; N-Boc-4-Aminopiperidine; 1-Boc-4-piperidinamine; tert-Butyl 4-amino-1-piperidinecarboxylate; 4-Amino-1-Boc-piperidine; 4-Amino-piperidine-1-carboxylic acid tert-butyl ester; tert-butyl 4-aminopiperidine-1-carboxylate; 1-Boc-4-氨基哌啶; 4-氨基-1-哌啶甲酸叔丁酯; 1-叔丁氧羰基-4-氨基哌啶; 1-Boc-4-氨基哌啶

Database IDs

• CAS Number: 87120-72-7
• MDL Number: MFCD01076201
• PubChem SID: 24883073; 24885868; 160978352
• PubChem CID: 1268291

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.7163312
• LogD (pH = 7.4): -2.1473374
• Log P: 0.3014924
• Molar Refractivity: 55.0703 cm^3
• Polarizability: 21.854008 Å^3
• Polar Surface Area: 55.56 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 44-48°C; 44-48°C
• Boiling Point: 80°C/0.037mm; 80°C/0.05mm
• Hydrophobicity(logP): 0.881

Safety Information

• Storage Warning: Air Sensitive; AIR SENSITIVE, CORROSIVE; Corrosive/Harmful/Air Sensitive/Store under Argon/Keep Cold
• European Hazard Symbols: Corrosive (C); Harmful (Xn)
• UN Number: UN3259
• German water hazard class: 2
• Hazard Class: 8
• Packing Group: III
• Risk Statements: 22-37/38-41; 34
• Safety Statements: 26-36/37/39; 26-36/37/39-45
• TSCA Listed: false; 否
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H302-H315-H318-H335; H314-H318
• GHS Precautionary statements: P261-P280-P305 + P351 + P338; P280-P305+P351+P338-P309-P310
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Faceshields, Gloves

Product Information

• Purity: ≥97.0% (TLC); 95%; 96%; 97%; 98%
• Grade: purum
• Empirical Formula (Hill Notation): C10H20N2O2

DETAILS

Sigma Aldrich - 640042

Application
Employed in a microwave-assisted solid-phase synthesis of N-substituted piperidines via direct annulation of primary amines with resin-bound dimesylates.1
Packaging
1, 5 g in glass bottle

Sigma Aldrich - 69001

Analysis Note
may contain ~5% water