Basic information
- CAS
138775-03-8- Standard SMILES
CC(C)(C)OC(=O)N1CCN(C(=O)OCc2ccccc2)C[C@H]1C(=O)O- InChIKey
SREPAMKILVVDSP-AWEZNQCLSA-N- Molecular formula
- C18H24N2O6
- Average molar mass
- 364.4 g/mol
- Monoisotopic mass
- 364.16343649
Names & identifiers
- Preferred name
- 1-(1,1-Dimethylethyl) 4-(phenylmethyl) (2S)-1,2,4-piperazinetricarboxylate
- IUPAC
- (2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenylmethoxycarbonylpiperazine-2-carboxylic acid
- English name
- (S)-N-1-Boc-N-4-Cbz-2-piperazine carboxylic acid
- Molecular formula
- C18H24N2O6
- Molecular weight
- 364.39
Names & synonyms
138775-03-8RefChem:2222501-(1,1-Dimethylethyl) 4-(phenylmethyl) (2S)-1,2,4-piperazinetricarboxylate(S)-N-1-Boc-N-4-Cbz-2-piperazine carboxylic acid(S)-4-((Benzyloxy)carbonyl)-1-(tert-butoxycarbonyl)piperazine-2-carboxylic acidMFCD02179111(2S)-4-benzyloxycarbonyl-1-tert-butoxycarbonyl-piperazine-2-carboxylic acid(s)-1-boc-4-cbz-2-piperazine carboxylic acid(S)-1-N-BOC-4-N-CBZ-PIPERAZINE-2-CARBOXYLIC ACID(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenylmethoxycarbonylpiperazine-2-carboxylic acidn-boc-[(4-n-z)piperazine(2s)cooh]AKOS015994907
Show more names
(S)-N-1-Boc-N-4-Cbz-2-piperazinecarboxylic acidREF DUPL: (S)-N-1-Boc-N-4-Cbz-2-piperazine carboxylic acid1-(tert-Butyl) 4-(benzyl) (2S)-1,2,4-piperazinetricarboxylate(S)-4-(benzyloxycarbonyl)-1-(tert-butyloxycarbonyl)-piperazine-2-carboxylic acid(2S)-4-[(benzyloxy)carbonyl]-1-[(tert-butoxy)carbonyl]piperazine-2-carboxylic acid(2S)-4-benzyloxycarbonyl-1-tert-butoxycarbonyl-piperazine-2-carboxylic acid - [B82679]
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 96.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 524
Physicochemical properties
- Melting point
- 50 · 50-53 °C
- Boiling point
- 518.9 · 518.9±50.0 °C(Predicted)
- Density
- 1.272 · 1.272±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 3.69 · 3.69±0.20(Predicted)
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Chemistry & industry
Suppliers50 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
南通先行生物医药科技有限公司513-85982855 18921614129 · [email protected]
Aladdin Scientific[email protected]
南京药石科技股份有限公司025-86918202 4000255188 · [email protected]
成都安米诺泰医药科技有限公司028-85755578 18140172005 · [email protected]
上海相辉医药科技有限公司13761987713; 13761987713 · [email protected]
上海泰坦科技股份有限公司4006009262 13023226327 · [email protected]
成都福尔斯特医药技术有限公司028-87078428 028-87074958 · [email protected]
广州科瑞生物技术有限公司20-66003216 18666003216 · [email protected]
南京友杰医药科技有限公司18860950986 · [email protected]
杭州迈世腾药物科技有限公司0571-82896630 18969958410 · [email protected]
上海毕得医药科技股份有限公司
Related reactions
4 records
Compound notes
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