Basic information
- CAS
56583-58-5- Standard SMILES
CC(C)(C)OC(=O)NC(Cc1ccc2ccccc2c1)C(=O)O- InChIKey
URKWHOVNPHQQTM-UHFFFAOYSA-N- Molecular formula
- C18H21NO4
- Average molar mass
- 315.4 g/mol
- Monoisotopic mass
- 315.14705815
Names & identifiers
- Preferred name
- 2-Tert-butoxycarbonylamino-3-naphthalen-2-YL-propionic acid
- IUPAC
- 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-naphthalen-2-ylpropanoic acid
- English name
- N-t-Boc-D-3-(2-naphthyl)alanine
- Molecular formula
- C18H21NO4
- Molecular weight
- 315.36
Names & synonyms
56583-58-52-TERT-BUTOXYCARBONYLAMINO-3-NAPHTHALEN-2-YL-PROPIONIC ACIDDTXSID40394617RefChem:267070DTXCID903454772-((tert-Butoxycarbonyl)amino)-3-(naphthalen-2-yl)propanoic acidN-T-BOC-D-3-(2-NAPHTHYL)ALANINEMFCD018830372-[(2-methylpropan-2-yl)oxycarbonylamino]-3-naphthalen-2-ylpropanoic acid2-{[(tert-butoxy)carbonyl]amino}-3-(naphthalen-2-yl)propanoic acidBOC-3-(2-NAPHTHYL)-ALANINESCHEMBL1519731
Show more names
NALPHA-tert-Butoxycarbonyl-3-(2-naphthyl)-D-alanine2-Naphthalenepropanoic acid, α-[[(1,1-dimethylethoxy)carbonyl]amino]-
2-tert-butoxycarbonylamino-3-naphthalen-2-ylpropanoic acidURKWHOVNPHQQTM-UHFFFAOYSA-NAKOS005350034AB02910AB03049DS-3300DA-20384PD196586
Database identifiers
- CAS
56583-58-5
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 75.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 429
Physicochemical properties
- Boiling point
- 512.184 · 512.184±43.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.2 · 1.200±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- storage temp.
- 20 °C · −20°C
- pka
- 3.881 · 3.881±0.30(predicted)
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- WGK Germany
- 3 · 3
Safety & regulation
Safety data
- wgk
- 3
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers14 total
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]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
郑州鸿尚科技有限公司0371-55932928 18937192232
北京蓝博特科技有限公司010-56330744 18310155299 · [email protected]
Henan Alfa Chemical Co., Ltd+8618339805032 · [email protected]
河北博新生物科技有限公司19131160546 · [email protected]
范德(北京)生物科技有限责任公司15911056312 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 17714375163 · [email protected]
河南阿尔法化工有限公司
Related reactions
13 records
Compound notes
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