Basic information
- CAS
13726-85-7- Standard SMILES
CC(C)(C)OC(=O)NC(CCC(N)=O)C(=O)O- InChIKey
VVNYDCGZZSTUBC-UHFFFAOYSA-N- Molecular formula
- C10H18N2O5
- Average molar mass
- 246.26 g/mol
- Monoisotopic mass
- 246.12157168
Names & identifiers
- Preferred name
- 2-{[(Tert-butoxy)carbonyl]amino}-4-carbamoylbutanoic acid
- IUPAC
- 5-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid
- English name
- N2-[(1,1-Dimethylethoxy)carbonyl]-DL-glutamine
- Molecular formula
- C10H18N2O5
- Molecular weight
- 246.26
Names & synonyms
85535-45-12-{[(tert-butoxy)carbonyl]amino}-4-carbamoylbutanoic acid2-(((tert-butoxy)carbonyl)amino)-4-carbamoylbutanoic acid2-[[(tert-Butoxy)carbonyl]amino]-4-carbamoylbutanoic acidRefChem:447157986-305-85-Amino-2-((tert-butoxycarbonyl)amino)-5-oxopentanoic acidNalpha-(tert-Butoxycarbonyl)-L-glutamineNSC-334370N.alpha.-tert-Butoxycarbonyl-L-glutamineNSC334370L3MK4EC9MJ
Show more names
LelidomideImpurity265-Amino-2-((tert-butoxycarbonyl)2-Boc-amino-4-carbamoylbutanoic acidN2-[(1,1-Dimethylethoxy)carbonyl]-DL-glutamine(S)-5-amino-2-(tert-butoxycarbonyl)-5-oxopentanoic acid
GLUTAMINE, N2-[(1,1-DIMETHYLETHOXY)CARBONYL]-(tert-Butoxycarbonyl)glutamineSCHEMBL1001711(tert-Butoxycarbonyl)-DL-glutamineN-tert-Butoxycarbonyl-DL-glutamine5-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acidMFCD00996048N~2~-(tert-butoxycarbonyl)glutamine
Database identifiers
- CAS
13726-85-7、85535-45-1- PubChem CID
- 433635
- UNII
- L3MK4EC9MJ
- EC Number
- 986-305-8
- Nikkaji
- J2.090.781I
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 119 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 308
Physicochemical properties
- Boiling point
- 509.1 · 509.1±45.0 °C(Predicted)
- Density
- 1.22 · 1.220±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 3.84 · 3.84±0.10(Predicted)
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers16 total
济南百隆化学有限公司[email protected] · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
石家庄衍晟生物科技有限公司18332018567; 18332018567 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
深圳市祥根生物医药有限公司0755-28967200 13631290199 · [email protected]
上海康恩博医药科技有限公司400-1388-521 17510465506 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 13913916777 · [email protected]
苏州诺欧曼生物科技有限公司15026866316 · [email protected]
山东鸿图生物科技有限公司15966937598 · [email protected]
滨海吉尔多肽有限公司021-61263389 13524856427 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Nextpeptide Inc+86-0571-81612335 +8613336028439 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
河南梦泰医药科技有限公司17634413542 · [email protected]
Related reactions
4 records
Compound notes
Loading…