Basic information
- CAS
109183-71-3- Standard SMILES
CC(C)(C)OC(=O)N[C@H](C(=O)O)C1CCCCC1- InChIKey
QSUXZIPXYDQFCX-JTQLQIEISA-N- Molecular formula
- C13H23NO4
- Average molar mass
- 257.33 g/mol
- Monoisotopic mass
- 257.16270822
Overview
See other relationships...
Names & identifiers
- Preferred name
- N-(tert-Butoxycarbonyl)-L-cyclohexylglycine
- IUPAC
- (2S)-2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
- English name
- Boc-L-Cyclohexylglycine
- Molecular formula
- C13H23NO4
- Molecular weight
- 257.33
Names & synonyms
RefChem:828686N-(tert-Butoxycarbonyl)-L-cyclohexylglycine109183-71-3Boc-L-cyclohexylglycineBoc-Chg-OHn-boc-l-cyclohexylglycineBoc-L-alpha-cyclohexylglycine(S)-2-((tert-Butoxycarbonyl)amino)-2-cyclohexylacetic acidMFCD00133638N-Boc-2-Cyclohexyl-L-glycine(2S)-2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acidBoc-(L)-Chg-OH
Show more names
BOC-CHG-OH H2OCAS:109183-71-3BOC-CYCLOHEXYL-GLY-OHBOC-PHG(HEXAHYDRO)-OHBOC-CYCLOHEXYL-GLYCINEBoc-L-CyclohexyglycineBoc-cyclohexyl-L-Gly-OHBoc?L?cyclohexyl?Gly?OH
(2S)-[(tert-butoxycarbonyl)amino](cyclohexyl)acetic acidboc-l-a-cyclohexylglycine(2S)-2-{[(tert-butoxy)carbonyl]amino}-2-cyclohexylacetic acidBoc-L-|A-CyclohexylglycineHY-W002410(s)-2-(tert-butoxycarbonylamino)-2-cyclohexylacetic acid(2S)-[(tert-butoxycarbonyl)amino](cyclohexyl)ethanoic acidN-(tert-Butoxycarbonyl)-L-2-cyclohexylglycine
Database identifiers
- CAS
109183-71-3- PubChem CID
- 7004938
- DTXSID
DTXSID80426481- ChEMBL
CHEMBL4950952- Nikkaji
- J2.376.806B
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 75.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 303
Physicochemical properties
- Melting point
- 83 °C · 83°C(lit.)
- Boiling point
- 407.9 · 407.9±28.0 °C(Predicted)
- Density
- 1.111 · 1.111±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- solubility
- soluble in Methanol
- pka
- 4.01 · 4.01±0.10(Predicted)
- form
- Liquid
- color
- Clear colorless to pale yellow
- optical activity
- 11.8 ° · 11.8°(C=0.01g/mI, MEOH, 20°C, 589nm)
- Water Solubility
- Slightly soluble in water.
- BRN
- 5553687 · 5553687
- Major Application
- peptide synthesis
- InChI
- InChI=1/C13H23NO4/c1-13(2,3)18-12(17)14-10(11(15)16)9-7-5-4-6-8-9/h9-10H,4-8H2,1-3H3,(H,14,17)(H,15,16)/t10-/s3
- InChIKey
- QSUXZIPXYDQFCX-JTQLQIEISA-N
- SMILES
- C1(CCCCC1)[C@@H](C(=O)O)NC(=O)OC(C)(C)C |&1:6,r|
- CAS DataBase Reference
- 109183 · 109183-71-3(CAS DataBase Reference)
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H332-H335
- Precautionary statements
- 261 · P261-P280-P305+P351+P338
- PPE
- 95 · Eyeshields, Gloves, type N95 (US)
- Safety Statements
- 24 · 24/25
- WGK Germany
- 3 · 3
- HazardClass
- IRRITANT
- HS Code
- 29242990 · 29242990
- Storage Class
- 13 · 13 - Non Combustible Solids
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
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- hs_code
- 29242990
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 24/25
- hazard_class
- IRRITANT
- Storage Class
- 13 - Non Combustible Solids
- Hazard statements
- H302-H315-H319-H332-H335
- Precautionary statements
- P261-P280-P305+P351+P338
Chemistry & industry
Applications
UsesN-Boc-2-cyclohexyl-L-glycine is used as pharmaceutical intermediate.
UsesN-Boc-L-cyclohexylglycine has been used as a reactant for the preparation of a potent hepatitis C protease inhibitor.
Suppliers100 total
北京华美互利生物化工010-56205725 · [email protected]
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]
Hangzhou Go Top Peptide Biotech0571-88211921 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
Syntechem Co.,Ltd[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
宁波亿诺化学品有限公司86-574-27787657 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
北京绿百草科技发展有限公司010-61136123 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
嘉兴市艾森化工有限公司0573-85285100 18627885956 · [email protected]
凯试(上海)科技有限公司021-50135380 · [email protected]
武汉丰泰威远科技有限公司+86-27-8746-5837 +86-18627785180 · [email protected]
扬州瑞宏生物科技有限公司0514-015380367604 15380367604 · [email protected]
杭州东帆化学有限公司86-0571-85151182
孝感深远化工有限公司15527621225; 15527621225 · [email protected]
大赛璐药物手性技术（上海）有限公司021-50460086-9 15921403865 · [email protected]
南京红杉生物科技有限公司158-05183379 15805183379 · [email protected]
四川库利南科技有限公司400-1166-196 18981987031 · [email protected]
天津希恩思生化科技有限公司400 638 7771 · [email protected]
河南多贝化工有限公司0370-2785118 17550508557 · [email protected]
上海思域化工科技有限公司86-21-34053660 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
上海特伯化学科技有限公司+86-21-60341587 · [email protected]
上海健超生物科技有限公司150-2103-5486 18017383231 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
越林试剂021-62960152 · [email protected]
泰州天鸿生化科技有限公司0523-86132544 15366717810 · [email protected]
成都创科诚生物科技有限公司028-028-0000000 13008177686 · [email protected]
南京德尔诺医药科技有限公司02585057128;025-86957866 13952093866 · [email protected]
泰州天鸿生化科技有限公司15366717998 · [email protected]
上海汇凯化学科技有限公司021-61995394 18916691159 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 4008675858 · [email protected]
上海贺康生物技术有限公司17721021104 18939837085 · [email protected]
上海将来实业股份有限公司021-61552785 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
上海创赛科技有限公司400-6087598 15021221957 · [email protected]
上海御略医药科技有限公司021-60345187 13671753212 · [email protected]
杭州杰恒化工有限公司0571-87396432 · [email protected]
上海嵩爰化工科技有限公司010-1234567 18521000990 · [email protected]
上海拓目化工有限公司13391076197 · [email protected]
无锡亚肽生物科技有限公司0510-83583050 13771062561 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
天津詹士顿医药科技有限公司022-60131465 18920720807 · [email protected]
Related reactions
33 records
Compound notes
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