Basic information
- CAS
109687-66-3- Standard SMILES
CC(C)(C)OC(=O)N[C@H](COS(C)(=O)=O)Cc1ccccc1- InChIKey
CIRITGBVSKUMAF-ZDUSSCGKSA-N- Molecular formula
- C15H23NO5S
- Average molar mass
- 329.4 g/mol
- Monoisotopic mass
- 329.12969401
Names & identifiers
- Preferred name
- (S)-2-((tert-Butoxycarbonyl)amino)-3-phenylpropyl methanesulfonate
- IUPAC
- [(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropyl] methanesulfonate
- English name
- (2S)-2-({[(1,1-diMethylethyl)o×y]carbonyl}aMino)-3-phenylpropyl Methanesulfonate
- Molecular formula
- C15H23NO5S
- Molecular weight
- 329.41
Names & synonyms
109687-66-3(S)-2-((tert-Butoxycarbonyl)amino)-3-phenylpropyl methanesulfonateDTXSID20435092RefChem:211031DTXCID30385918[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropyl] methanesulfonate(2S)-2-[(tert-butoxycarbonyl)amino]-3-phenylpropyl methanesulfonate(2S)-2-({[(1,1-diMethylethyl)oxy]carbonyl}aMino)-3-phenylpropyl MethanesulfonateCIRITGBVSKUMAF-ZDUSSCGKSA-NSCHEMBL272610(S)-2-((tert-Butoxycarbonyl)amino)-3-phenylpropylmethanesulfonateAKOS015999525
Show more names
(S)-2-(tert-butoxycarbonylamino)-3-phenylpropymethanesulfonate(2S)-2-({[(1,1-diMethylethyl)o×y]carbonyl}aMino)-3-phenylpropyl MethanesulfonateN-[(1S)-1-[[(Methylsulfonylo×y)]Methyl]-2-phenylethyl]carbaMic acid tert-butyl esterN-[(1S)-1-[[(Methylsulfonyloxy)]methyl]-2-phenylethyl]carbamic acid tert-butyl esterCarbamic acid, N-[(1S)-1-[[(methylsulfonyl)oxy]methyl]-2-phenylethyl]-, 1,1-dimethylethyl ester(2S)-2-({[(1,1-diMethylethyl)o×y]carbonyl}aMino)-3-phenylpropyl Methanesulfonate ISO 9001：2015 REACH
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 90.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 444
Physicochemical properties
- Melting point
- 116 · 116-117 °C (decomp)
- Boiling point
- 511.8 · 511.8±50.0 °C(Predicted)
- Density
- 1.185 · 1.185±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 11.62 · 11.62±0.46(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Suppliers9 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
嘉兴市艾森化工有限公司0573-85285100 18627885956 · [email protected]
宝鸡缔都医药化工有限公司029-81145305 17791533577 · [email protected]
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
成都赛诺宁科技有限公司28-87999436 02887999436 · [email protected]
嘉兴市德亿化工有限公司0573-85866609 13325730825 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
河北药成医药科技有限责任公司19903117580 19903117510 · [email protected]
Dideu Industries Group Limited+8617392712697 · [email protected]
Related reactions
3 records
Compound notes
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