Basic information
- CAS
78818-15-2- Standard SMILES
O=C1CN(C(=O)OCc2ccccc2)CCN1- InChIKey
BAHFPJFBMJTOPU-UHFFFAOYSA-N- Molecular formula
- C12H14N2O3
- Average molar mass
- 234.25 g/mol
- Monoisotopic mass
- 234.10044231
Names & identifiers
- Preferred name
- Benzyl 3-oxopiperazine-1-carboxylate
- IUPAC
- benzyl 3-oxopiperazine-1-carboxylate
- English name
- BENZYL 3-OXOPIPERAZINE-1-CARBOXYLATE
- Molecular formula
- C12H14N2O3
- Molecular weight
- 234.25
Names & synonyms
78818-15-2benzyl 3-oxopiperazine-1-carboxylateDTXSID60353100RefChem:566646DTXCID70304163626-722-14-Benzyloxycarbonyl-2-piperazinone4-Benzyloxycarbonylpiperazin-2-one1-Cbz-3-oxopiperazineMFCD001739241-Piperazinecarboxylic acid, 3-oxo-, phenylmethyl ester4-Benzyloxycarbonyl-2-oxopiperazine
Show more names
BUTTPARK 32\04-694-CBZ-PIPERAZINONEN-CBZ-PIPERAZINONE4-Z-PIPERAZIN-2-ONEN'-Z-PIPERAZIN-2-ONEN-CARBOXYBENZYLOXYPIPERAZINONE
phenylmethyl 3-oxopiperazinecarboxylateMixCom3_0000333-Oxopiperazine-1-carboxylic acid benzyl ester4-benyloxycarbonylpiperazin-2-one1-Z-3-oxopiperazinebenzyl 3-oxo-1-piperazinecarboxylateAKOS005069579SB12580
Database identifiers
- CAS
78818-15-2- PubChem CID
- 736777
- DTXSID
DTXSID60353100- EC Number
- 626-722-1
- Nikkaji
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 58.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 287
Physicochemical properties
- Melting point
- 118 · 118-120°C
- Boiling point
- 459.8 · 459.8±45.0 °C(Predicted)
- Density
- 1.243 · 1.243±0.06 g/cm3(Predicted)
- storage temp.
- Inert atmosphere,Room Temperature
- form
- powder to crystal
- pka
- 14.98 · 14.98±0.20(Predicted)
- color
- White to Orange to Green
- InChI
- 1S/C12H14N2O3/c15-11-8-14(7-6-13-11)12(16)17-9-10-4-2-1-3-5-10/h1-5H,6-9H2,(H,13,15)
- InChIKey
- BAHFPJFBMJTOPU-UHFFFAOYSA-N
- SMILES
- O=C1CN(CCN1)C(=O)OCc2ccccc2
- CAS DataBase Reference
- 78818 · 78818-15-2(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 47 reports by companies from 7 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
- 29335990
- 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
UsesBenzyl 3-oxopiperazine-1-carboxylate is a useful research reagent for organic synthesis and other chemical processes.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers91 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
成都彼样生物科技有限公司18108052721 · [email protected]
上海炎泽化工有限公司15345144255 19975051755 · [email protected]
成都市久鼎化学技术有限公司18584079237 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
Related reactions
83 records
Compound notes
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