Basic information
- CAS
111652-20-1- Standard SMILES
CC(C)(C)OC(=O)CNC(=O)OC(C)(C)C- InChIKey
ZDKFMHKWZATBMR-UHFFFAOYSA-N- Molecular formula
- C11H21NO4
- Average molar mass
- 231.29 g/mol
- Monoisotopic mass
- 231.14705815
Names & identifiers
- Preferred name
- tert-Butyl ((tert-butoxycarbonyl)amino)acetate
- IUPAC
- tert-butyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
- English name
- BOC-GLYCINE TERT-BUTYL ESTER
- Molecular formula
- C11H21NO4
- Molecular weight
- 231.29
Names & synonyms
tert-Butyl ((tert-butoxycarbonyl)amino)acetateEC 696-236-2tert-butyl [(tert-butoxycarbonyl)amino]acetateRefChem:891528696-236-2Boc-Gly-OtBu111652-20-1Boc-glycine tert-butyl estertert-Butyl 2-((tert-butoxycarbonyl)amino)acetateTert-butyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetateN-Boc-glycine tert-Butyl EsterMFCD00191866
Show more names
N-Boc-gLN-BOC-Gly-OtBuBoc-Gly-OttBuBOC-GLYCINE T-BUTYL ESTER(Tert-Butoxy)Carbonyl Gly-OtBu
N-(tert-Butoxycarbonyl)glycine tert-butyl esterSCHEMBL125503HY-W000830N-Boc-glycine tert-butyl ester (Boc-Gly-OtBu)AMY3783Glycine, N-[(1,1-dimethylethoxy)carbonyl]-, 1,1-dimethylethyl esterBoc-Gly-OtBu, 99%DTXSID90399278
Database identifiers
- CAS
111652-20-1- PubChem CID
- 4097102
- DTXSID
DTXSID90399278- EC Number
- 696-236-2
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 64.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 260
Physicochemical properties
- Melting point
- 66 · 66-68 °C(lit.)
- Boiling point
- 306 · 306.0±25.0 °C(Predicted)
- Density
- 1.023 · 1.023
- storage temp.
- 2 · 2-8°C
- solubility
- very soluble in Methanol
- form
- powder to crystal
- pka
- 11.06 · 11.06±0.46(Predicted)
- color
- White to Almost white
- Water Solubility
- 1.05 g/L · 1.05g/L at 20℃
- BRN
- 5002580 · 5002580
- Major Application
- peptide synthesis
- InChI
- 1S/C11H21NO4/c1-10(2,3)15-8(13)7-12-9(14)16-11(4,5)6/h7H2,1-6H3,(H,12,14)
- InChIKey
- ZDKFMHKWZATBMR-UHFFFAOYSA-N
- SMILES
- CC(C)(C)OC(=O)CNC(=O)OC(C)(C)C
- LogP
- 2.21 at · 2.21 at 25℃
- UNSPSC Code
- 12352209 · 12352209
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 2.5% (1 of 40) of reports.
Warning
H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory InformationStatus: Active Update: 16-11-2015 https://echa.europa.eu/registration-dossier/-/registered-dossier/16443
Hazard Classes and CategoriesAcute Tox. 4 (97.5%)
Safety data
- wgk
- 3
- hs_code
- 29241990
- risk_code
- 22-51
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 20/21-29/56
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H401-H302
- REACH Registrations
- Active
- Hazard Classifications
- Acute Tox. 4 Oral
- Precautionary statements
- P264-P270-P301+P312a-P330-P501a
Chemistry & industry
Applications
Usespeptide synthesis
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
江苏吉泰肽业科技有限公司051580855088 18762539991 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
江苏生康迈翔科技有限公司18217475093 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
Related reactions
5 records
Compound notes
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