| Canonical Smiles | C1=CC=C(C=C1)COC(=O)NC(CC2=CN=CN2)C(=O)NN |
|---|---|
| IUPAC Name | benzyl N-[(2S)-1-hydrazinyl-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]carbamate |
| InChIKey | BOOAASJRVPZWJW-LBPRGKRZSA-N |
| INCHI | 1S/C14H17N5O3/c15-19-13(20)12(6-11-7-16-9-17-11)18-14(21)22-8-10-4-2-1-3-5-10/h1-5,7,9,12H,6,8,15H2,(H,16,17)(H,18,21)(H,19,20)/t12-/m0/s1 |
| Isomeric SMILES | C1=CC=C(C=C1)COC(=O)N[C@@H](CC2=CN=CN2)C(=O)NN |
| PubChem CID | 73464 |
| Molecular Weight | 303.32 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic acids and derivatives |
| Class | Carboxylic acids and derivatives |
| Subclass | Amino acids, peptides, and analogues |
| Intermediate Tree Nodes | Amino acids and derivatives - Alpha amino acids and derivatives |
| Direct Parent | Histidine and derivatives |
| Alternative Parents | Benzyloxycarbonyls Imidazoles Heteroaromatic compounds Carbamate esters Organic carbonic acids and derivatives Carboxylic acid hydrazides Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Histidine or derivatives - Benzyloxycarbonyl - Monocyclic benzene moiety - Benzenoid - Azole - Imidazole - Carbamic acid ester - Heteroaromatic compound - Carboxylic acid hydrazide - Carbonic acid derivative - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxide - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as histidine and derivatives. These are compounds containing cysteine or a derivative thereof resulting from reaction of cysteine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. |
| 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 |
|---|---|---|---|
 D2514469 | Certificate of Analysis | Mar 27, 2025 | Z349067 |
| D2514471 | Certificate of Analysis | Mar 27, 2025 | Z349067 |
| D2525467 | Certificate of Analysis | Mar 27, 2025 | Z349067 |
| D2525468 | Certificate of Analysis | Mar 27, 2025 | Z349067 |
| D2525469 | Certificate of Analysis | Mar 27, 2025 | Z349067 |
| Solubility | Soluble in acetic acid 80% (50 mg/ml, Clear, colorless solution). |
|---|---|
| Refractive Index | n20D~1.62 (Predicted) |
| Specific Rotation[α] | α24D-36°±2°, c = 1 in 1 N HCl |
| Melt Point(°C) | 164-170° C |
| Molecular Weight | 303.320 g/mol |
| XLogP3 | 0.200 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 7 |
| Exact Mass | 303.133 Da |
| Monoisotopic Mass | 303.133 Da |
| Topological Polar Surface Area | 122.000 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 373.000 |
| 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 |
