Basic information
- CAS
17547-09-0- Standard SMILES
CC(C)(C)OC(=O)NCCC(=O)Oc1ccc([N+](=O)[O-])cc1- InChIKey
NQNGYJVVBTUENI-UHFFFAOYSA-N- Molecular formula
- C14H18N2O6
- Average molar mass
- 310.3 g/mol
- Monoisotopic mass
- 310.1164863
Names & identifiers
- Preferred name
- Boc-beta-alanine 4-nitrophenyl ester
- IUPAC
- (4-nitrophenyl) 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
- English name
- Boc-beta-Ala-ONp
- Molecular formula
- C14H18N2O6
- Molecular weight
- 310.3
Names & synonyms
Boc-beta-alanine 4-nitrophenyl ester17547-09-0Boc-b-Ala-ONp(4-nitrophenyl) 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoateMFCD000576134-nitrophenyl 3-{[(tert-butoxy)carbonyl]amino}propanoateBOC-B-ALANINE 4-NITROPHENYL ESTERBOC-BETA-ALA-ONP4-Nitrophenyl 3-((tert-butoxycarbonyl)amino)propanoateSCHEMBL9228347DTXSID90400277NQNGYJVVBTUENI-UHFFFAOYSA-N
Show more names
Boc-2-Ala-ONpBoc-β-Ala-OnpBOC-BETA-ALA-ONP USP/EP/BPBoc-β-alanine 4-nitrophenyl esterBoc-β-alanine 4-nitrophenyl esterBoc-β-alanine 4-nitrophenyl ester≥ 97% (HPLC)N-tert-Butoxycarbonyl-beta-alanine 4-nitrophenyl ester
4-nitrophenyl 3-[[(1,1-dimethylethoxy)carbonyl]amino]propionateAKOS015833430AS-63005DB-007305G84442(4-nitrophenyl) 3-(tert-butoxycarbonylamino)propanoate4-Nitrophenyl N-(tert-butoxycarbonyl)-beta-alaninate
Database identifiers
- CAS
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 405
Physicochemical properties
- Boiling point
- 473 · 473.0±30.0 °C(Predicted)
- Density
- 1.239 · 1.239±0.06 g/cm3 (20 ºC 760 Torr)
- storage temp.
- 2 · Sealed in dry,2-8°C
- pka
- 12.04 · 12.04±0.46(Predicted)
- WGK Germany
- 3 · 3
- F
- 8 · 8
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
- F
- 8
- wgk
- 3
Chemistry & industry
Suppliers27 total
江苏生康迈翔科技有限公司18217475093 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
宁波亿诺化学品有限公司86-574-27787657 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
上海安化生物技术有限公司021-61263375 18168859245
上海相辉医药科技有限公司13761987713 · [email protected]
武汉海正工贸发展有限公司027-8866 0053/88660577/88660578
Shanghai Hanhong Scientific Co., Ltd.+undefined17612118332 · [email protected]
赛纳斯特化学（欢迎点击联系）021-60343070
无锡亚肽生物科技有限公司0510-83583050 13771062561 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
北京汇科盈生物科技有限公司15210661751 · [email protected]
石家庄瑞田生化有限公司15831127780 · [email protected]
Related reactions
1 records
Compound notes
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