Basic information
- Standard SMILES
CC(C)(C)OC(=O)NC1CCNCC1- InChIKey
CKXZPVPIDOJLLM-UHFFFAOYSA-N- Molecular formula
- C10H20N2O2
- Average molar mass
- 200.28 g/mol
- Monoisotopic mass
- 200.15247789
Names & identifiers
- Preferred name
- 4-(N-Boc-amino)piperidine
- IUPAC
- tert-butyl N-piperidin-4-ylcarbamate
- English name
- 4-N-BOC-Aminopiperidine
- Molecular formula
- C10H20N2O2
- Molecular weight
- 200.28
Names & synonyms
4-(N-Boc-amino)piperidine4-(tert-Butoxycarbonylamino)piperidineRefChem:516494616-026-673874-95-04-Boc-aminopiperidinetert-butyl piperidin-4-ylcarbamate4-N-Boc-Aminopiperidine4-(Boc-amino)piperidinetert-butyl N-(piperidin-4-yl)carbamatetert-butyl N-piperidin-4-ylcarbamateMFCD00798171
Show more names
tert-Butyl N-(4-piperidyl)carbaMatePrucapride 11BUTTPARK 90\06-014-N-BOC-AMinopiperid
4-n-boc-amino-piperidineBoc-4-aminopiperidine4-(boc-amino)-piperidinepiperidin-4-yl-carbamic acid tert-butyl ester4-(n-tert-butoxycarbonylamino)piperidinet-butyl piperidin-4-ylcarbamatePiperidin-4-ylcarbamic acid tert-butyl estertert-butylpiperidine-4-ylcarbamate
Database identifiers
- CAS
73874-95-0- PubChem CID
- 723833
- DTXSID
DTXSID20352356- UNII
- EZ7Q6EE99Q
- EC Number
- 616-026-6
- Nikkaji
- J1.522.015E
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 50.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 193
Physicochemical properties
- Melting point
- 162 · 162-166 °C(lit.)
- Boiling point
- 80 °C/0.05mm · 80°C/0.05mm
- Density
- 1.02 · 1.02±0.1 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- solubility
- soluble in Methanol
- pka
- 12.39 · 12.39±0.20(Predicted)
- form
- Crystalline Powder
- color
- Off-white
- Sensitive
- Air Sensitive
- InChI
- InChI=1S/C10H20N2O2/c1-10(2,3)14-9(13)12-8-4-6-11-7-5-8/h8,11H,4-7H2,1-3H3,(H,12,13)
- InChIKey
- CKXZPVPIDOJLLM-UHFFFAOYSA-N
- SMILES
- C(OC(C)(C)C)(=O)NC1CCNCC1
- CAS DataBase Reference
- 73874 · 73874-95-0(CAS DataBase Reference)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
- target organs
- Respiratory system
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36-37/39
- WGK Germany
- 3 · 3
- HazardClass
- IRRITANT
- HS Code
- 29339900 · 29339900
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (96.4%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (96.4%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (94.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 55 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (96.4%)；Eye Irrit. 2 (96.4%)；STOT SE 3 (94.5%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- hs_code
- 29339900
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36-37/39
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Applications
Description4-(N-Boc-amino)piperidone may be used as a functionalization reagent for introduction of a primary and a tertiary amino group to poly(2-isopropyl-2-oxazoline. It can also be used as pharma building block. It is used in the synthesis of a piperidine-4-carboxamide CCR5 antagonist with potent anti-HIV 1-activity. It is an intermediate for the synthesis of various pharmaceutical and biologically active compounds, including inhibitors and therapeutic agents. It is used for the synthesis of diphenyl purine derivatives as peripherally selective cannabinoid receptor 1 Antagonists.
UsesPharma building block.
General Description4-(N-Boc-amino)piperidone is a piperidone derivative.
Upstream & downstream products
Upstream raw materials
Suppliers50 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
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