Basic information
- CAS
288851-44-5- Standard SMILES
CC(C)(C)OC(=O)N1CCN(C(=O)CCC(=O)O)CC1- InChIKey
ZLNADSVMXTWJPD-UHFFFAOYSA-N- Molecular formula
- C13H22N2O5
- Average molar mass
- 286.32 g/mol
- Monoisotopic mass
- 286.15287181
Names & identifiers
- Preferred name
- 4-(4-(tert-Butoxycarbonyl)piperazin-1-yl)-4-oxobutanoic acid
- IUPAC
- 4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-4-oxobutanoic acid
- English name
- 4-(3-Carboxy-propionyl)-piperazine-1-carboxylic acid tert-butyl ester
- Molecular formula
- C13H22N2O5
- Molecular weight
- 286.32
Names & synonyms
288851-44-54-(4-(tert-Butoxycarbonyl)piperazin-1-yl)-4-oxobutanoic acid4-(3-Carboxy-propionyl)-piperazine-1-carboxylic acid tert-butyl ester1-Boc-4-(3-carboxy-propionyl)-piperazineMFCD064091844-[4-(tert-butoxycarbonyl)piperazin-1-yl]-4-oxobutanoic acid4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-4-oxobutanoic acid1-piperazinebutanoic acid, 4-[(1,1-dimethylethoxy)carbonyl]-gamma-oxo-BUTTPARK 82\11-12orb3176732SCHEMBL12092165DTXSID40338011
Show more names
4-(3-Carboxy-propionyl)-piperazine-1-carboxylic4-(3-carboxy-1-oxopropyl)-1-piperazinecarboxylic acid1-Piperazinebutanoic acid, 4-[(1,1-dimethylethoxy)carbonyl]-γ-oxo-
ZLNADSVMXTWJPD-UHFFFAOYSA-N4-[4-(tert-Butoxycarbonyl)-1-piperazinyl]-4-oxobutanoic acid1-Piperazinebutanoicacid, 4-[(1,1-dimethylethoxy)carbonyl]-g-oxo-1-Boc-4-(3-carboxy-propionyl)-pipAKOS015948497BS-16365SY064197CS-0154705
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 87.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 381
Physicochemical properties
- Melting point
- 127 · 127-129°C
- Boiling point
- 473.6 · 473.6±40.0 °C(Predicted)
- Density
- 1.22 · 1.220±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 4.98 · 4.98±0.17(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332-H315-H319
- Precautionary statements
- 501 · P501-P261-P270-P271-P264-P280-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330-P302+P352+P312-P304+P340+P312
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302+H312+H332-H315-H319
- Precautionary statements
- P501-P261-P270-P271-P264-P280-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330-P302+P352+P312-P304+P340+P312
Chemistry & industry
Suppliers20 total
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
郑州康弗辰医药科技有限公司18210788515; 18210788515 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
北京伊万景瑞生物科技有限公司15866847540 · [email protected]
武汉凯威斯科技有限公司027-67849912 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
上海康恩博医药科技有限公司（科小研试剂）400-1388-521 17510465506 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 13913916777 · [email protected]
上海吉至生化科技有限公司021-4009004166/18616739031 18616739031 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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