Basic information
- CAS
7148-24-5- Standard SMILES
CCOC(=O)CCC(NC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)OCC- InChIKey
OTQQWHKIMACEHP-UHFFFAOYSA-N- Molecular formula
- C16H20N2O7
- Average molar mass
- 352.34 g/mol
- Monoisotopic mass
- 352.12705098
Names & identifiers
- Preferred name
- Diethyl 2-[(4-nitrobenzoyl)amino]pentanedioate
- IUPAC
- diethyl 2-[(4-nitrobenzoyl)amino]pentanedioate
- English name
- N-(4-Nitrobenzoyl)-L-glutamic acid diethyl ester
- Molecular formula
- C16H20N2O7
- Molecular weight
- 352.34
Names & synonyms
NSC5144diethyl 2-[(4-nitrobenzoyl)amino]pentanedioateSCHEMBL7954572NSC 5144NSC-5144EINECS 230-464-1MB02319DB-055531DIETHYL-N-(4-NITROBENZOYL)-D-GLUTAMATEDIETHYL N-(4-NITROBENZOYL)-L-GLUTAMATEN-(P-NITROBENZOYL)-L-GLUTAMIC ACID DIETHYL ESTERN-(4-Nitrobenzoyl)-L-glutamic acid diethyl ester
Show more names
N-(4-Nitrobenzoyl)-L-glutamic acid diethylester,98%L-Glutamic acid, N-(4-nitrobenzoyl)-, 1,5-diethyl esterN-(4-NITROBENZOYL)-L-GLUTAMIC ACID DIETHYL ESTER USP/EP/BP1,5-diethyl (2S)-2-[(4-nitrophenyl)formamido]pentanedioate
Database identifiers
- CAS
7148-24-5- PubChem CID
- 95374
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 128 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 10
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 481
Physicochemical properties
- Melting point
- 92 · 92-94 °C(lit.)
- Boiling point
- 485.96 °C · 485.96°C (rough estimate)
- Density
- 1.2266 · 1.2266 (rough estimate)
- refractive index
- 1.58 · 1.5800 (estimate)
- pka
- 11.67 · 11.67±0.46(Predicted)
- optical activity
- 24 · [α]24/D +20.5°, c = 2 in chloroform
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- Safety Statements
- 24 · 24/25
- WGK Germany
- 3 · 3
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
- wgk
- 3
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 24/25
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers10 total
江苏吉泰肽业科技有限公司18936337900 18936337900 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
吉尔多肽生物制药（大连市）有限公司021-61263455 13167021076 · [email protected]
career henan chemical co+86-0371-86658258 · [email protected]
滨海吉尔多肽有限公司021-61263389 13524856427 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
DONBOO AMINO ACID COMPANY13063595538 · [email protected]
Dideu Industries Group Limited+86-29-81148696 +86-15129568250 · [email protected]
Related reactions
1 records
Compound notes
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