Basic information
- CAS
165454-06-8- Standard SMILES
O=C(O)COCCOCCNC(=O)OCc1ccccc1- InChIKey
GWUWSVXMAZFFNT-UHFFFAOYSA-N- Molecular formula
- C14H19NO6
- Average molar mass
- 297.3 g/mol
- Monoisotopic mass
- 297.12123733
Names & identifiers
- Preferred name
- 3-Oxo-1-phenyl-2,7,10-trioxa-4-azadodecan-12-oic acid
- IUPAC
- 2-[2-[2-(phenylmethoxycarbonylamino)ethoxy]ethoxy]acetic acid
- English name
- Cbz-8-amino-3,6-dioxaoctanoic acid dcha
- Molecular formula
- C14H19NO6
- Molecular weight
- 297.3
Names & synonyms
165454-06-83-Oxo-1-phenyl-2,7,10-trioxa-4-azadodecan-12-oic acidDTXSID90448977RefChem:281478DTXCID90399798CBZ-NH-PEG2-CH2COOH2-[2-[2-(phenylmethoxycarbonylamino)ethoxy]ethoxy]acetic acidMFCD233798793,6,11-Trioxa-9-azadodecanoic acid, 10-oxo-12-phenyl-GWUWSVXMAZFFNT-UHFFFAOYSA-NCBZ-AEEACbz-NH-PEG2-CH2CO2H
Show more names
CBZ-AEEA.DCHACb-NH-PEG2-CH2COOHCbz-8-amino-3,6-dioxaoctanoic acid dcha2-[2-(Cbz-amino)ethoxy]ethoxyacetic acidCBZ- 8 -AMINO- 3 , 6 - DIOXA-CTANOIC ACID DCHA8-Benzyloxycarbonylamino-3,6-dioxaoctanoic aciddicyclohexylammonium 3-oxo-1-phenyl-2,7,10-trioxa-4-azadodecan-12-oate
SCHEMBL127760orb1307472orb1940660SCHEMBL88935652-(2-(2-Benzyloxycarbonylaminoethoxy)ethoxy)acetic acid3-Oxo-1-phenyl-2,7,10-trioxa-4-azadodecan-12-oicacidAKOS016013205DS-5801
Database identifiers
- CAS
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 94.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 11
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 304
Physicochemical properties
- Boiling point
- 506.6 · 506.6±45.0 °C(Predicted)
- Density
- 1.233 · 1.233±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- pka
- 3.4 · 3.40±0.10(Predicted)
- form
- Viscous Liquid
- color
- Colorless to light yellow
- InChI
- InChI=1S/C14H19NO6/c16-13(17)11-20-9-8-19-7-6-15-14(18)21-10-12-4-2-1-3-5-12/h1-5H,6-11H2,(H,15,18)(H,16,17)
- InChIKey
- GWUWSVXMAZFFNT-UHFFFAOYSA-N
- SMILES
- C(O)(=O)COCCOCCNC(=O)OCC1=CC=CC=C1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
UsesCbz-NH-PEG2-CH2COOH is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs[1].
Suppliers56 total
上海康恩博医药科技有限公司17510465506 · [email protected]
荟达医药科技(上海)有限公司15173502222 · [email protected]
成都翰唯生物科技有限公司17360178904 18217049878
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
成都普康生物科技有限公司156 18217049878 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
嘉兴市艾森化工有限公司0573-85285100 18627885956 · [email protected]
湖北魏氏化学试剂股份有限公司17771898297 13125137661 · [email protected]
Shanxi Tihondan Pharmaceutical Technology Co., Ltd+8618235132063 · [email protected]
吉林中科研伸科技有限公司18143011203 · [email protected]
ChemPep, Inc.+1 (888) 615-9178 / (561) 791-8787 · [email protected]
Related reactions
1 records
Compound notes
Loading…