≥98.5% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C Ships Wet ice Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 504754603 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504754603 |
| Canonical Smiles | C1=CC=C(C=C1)COC(=O)NC(CCCN=C(N)N)C(=O)O |
| IUPAC Name | (2S)-5-(diaminomethylideneamino)-2-(phenylmethoxycarbonylamino)pentanoic acid |
| InChIKey | SJSSFUMSAFMFNM-NSHDSACASA-N |
| INCHI | 1S/C14H20N4O4/c15-13(16)17-8-4-7-11(12(19)20)18-14(21)22-9-10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2,(H,18,21)(H,19,20)(H4,15,16,17)/t11-/m0/s1 |
| Isomeric SMILES | C1=CC=C(C=C1)COC(=O)N[C@@H](CCCN=C(N)N)C(=O)O |
| WGK Germany | 3 |
| Molecular Weight | 308.33 |
| Beilstein | 2169267 |
| Reaxy-Rn | 48649473 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=48649473&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Benzyloxycarbonyls |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzyloxycarbonyls |
| Alternative Parents | Alpha amino acids and derivatives Carbamate esters Organic carbonic acids and derivatives Guanidines Propargyl-type 1,3-dipolar organic compounds Monocarboxylic acids and derivatives Carboxylic acids Carboximidamides Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Alpha-amino acid or derivatives - Benzyloxycarbonyl - Carbamic acid ester - Guanidine - Carbonic acid derivative - Carboxylic acid derivative - Carboxylic acid - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Carbonyl group - Organic oxygen compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzyloxycarbonyls. These are organic compounds containing a carbonyl group substituted with a benzyloxyl group. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 B2225343 | Certificate of Analysis | Dec 12, 2025 | C113128 |
| B2225345 | Certificate of Analysis | Dec 12, 2025 | C113128 |
| B2225359 | Certificate of Analysis | Dec 12, 2025 | C113128 |
| A2213037 | Certificate of Analysis | Oct 13, 2025 | C113128 |
| G2410147 | Certificate of Analysis | Apr 12, 2024 | C113128 |
| G2410148 | Certificate of Analysis | Apr 12, 2024 | C113128 |
| H1920112 | Certificate of Analysis | Jun 06, 2023 | C113128 |
| H1512123 | Certificate of Analysis | Jun 05, 2023 | C113128 |
| B2225243 | Certificate of Analysis | Dec 30, 2021 | C113128 |
| H2527075 | Certificate of Analysis | Dec 30, 2021 | C113128 |
| Specific Rotation[α] | -10 ° (C=5.5, 0.2mol/L HCl) |
|---|---|
| Melt Point(°C) | 171-174°C |
| Molecular Weight | 308.330 g/mol |
| XLogP3 | 0.200 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 9 |
| Exact Mass | 308.148 Da |
| Monoisotopic Mass | 308.148 Da |
| Topological Polar Surface Area | 140.000 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 390.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
