Basic information
- CAS
57260-70-5- Standard SMILES
CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)CC1- InChIKey
GVHSMUYEAWMYLM-UHFFFAOYSA-N- Molecular formula
- C16H24N2O2
- Average molar mass
- 276.37 g/mol
- Monoisotopic mass
- 276.18377801
Names & identifiers
- Preferred name
- Tert-butyl 4-benzylpiperazine-1-carboxylate
- IUPAC
- tert-butyl 4-benzylpiperazine-1-carboxylate
- English name
- 1-Boc-(4-benzyl)piperazine
- Molecular formula
- C16H24N2O2
- Molecular weight
- 276.37
Names & synonyms
tert-Butyl 4-benzylpiperazine-1-carboxylateRefChem:893973625-575-057260-70-51-Boc-(4-benzyl)piperazine1-benzyl-4-boc-piperazineMFCD00075603tert-butyl-4-benzyl-1-piperazine carboxylate1-Boc-4-benzylpiperazine1-Piperazinecarboxylic acid, 4-(phenylmethyl)-, 1,1-dimethylethyl estertert-Butyl 4-benzyl-1-piperazinecarboxylate4-benzyl-piperazine-1-carboxylic acid tert-butyl ester
Show more names
BUTTPARK 146\06-234-BENZYL-1-BOC-PIPERAZINE4-BENZYL-1-T-BUTOXYCARBONYLPIPERAZINE1-Benzyl-4-(tert-butoxycarbonyl)piperazine
1-boc-4-benzyl-piperazineMaybridge4_002104N6B22Q5FYG1-N-Boc-4-benzylpiperazineOprea1_6141104-Benzylpiperazine-1-carboxylic acid tert-butyl esterSCHEMBL2862442SCHEMBL27862081
Database identifiers
- CAS
57260-70-5- PubChem CID
- 584330
- DTXSID
DTXSID20342772
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 32.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 311
Physicochemical properties
- Melting point
- 71 · 71-73 °C(lit.)
- Boiling point
- 362.5 · 362.5±35.0 °C(Predicted)
- Density
- 1.087 · 1.087±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 6.5 · 6.50±0.10(Predicted)
- Appearance
- Off-white to light yellow Solid
- BRN
- 797033 · 797033
- InChI
- 1S/C16H24N2O2/c1-16(2,3)20-15(19)18-11-9-17(10-12-18)13-14-7-5-4-6-8-14/h4-8H,9-13H2,1-3H3
- InChIKey
- GVHSMUYEAWMYLM-UHFFFAOYSA-N
- SMILES
- CC(C)(C)OC(=O)N1CCN(CC1)Cc2ccccc2
- CAS DataBase Reference
- 57260 · 57260-70-5(CAS DataBase Reference)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/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 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- hs_code
- 2933599590
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-37/39
- 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
General Description1-Boc-(4-benzyl)piperazine is an heterocyclic building block.
Upstream & downstream products
Upstream raw materials
Suppliers83 total
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Related reactions
12 records
Compound notes
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