Basic information
- CAS
115-02-6- Standard SMILES
[N-]=[N+]=CC(=O)OCC(N)C(=O)O- InChIKey
MZZGOOYMKKIOOX-UHFFFAOYSA-N- Molecular formula
- C5H7N3O4
- Average molar mass
- 173.13 g/mol
- Monoisotopic mass
- 173.04365571
Names & identifiers
- Preferred name
- D-Azaserine
- IUPAC
- 2-amino-3-(2-diazoacetyl)oxypropanoic acid
- English name
- Azaserine
- Molecular formula
- C5H7N3O4
- Molecular weight
- 173.13
Names & synonyms
D-AzaserineNSC16661376749-44-5NCGC00018164-02O-DiazoacethylserinCI-337;O-Diazoacetyl-L-serine;P-165Spectrum_002000O-Diazoacetyl-L -serineSpectrum2_001221Spectrum3_001853Spectrum4_001258SCHEMBL8862
Show more names
azsci337cl337p-165ci-337nsc-742cn15757azaserincn-15,757Azaserine
BSPBio_003266KBioGR_001816KBioSS_002576DivK1c_000319SPECTRUM1502113SPBio_001062CHEMBL1651884BDBM39339
Database identifiers
- CAS
115-02-6、76749-44-5- PubChem CID
- 830
- ChEMBL
CHEMBL1651884
Properties
Computed structural properties
- XLogP
- -3.2
- Topological polar surface area
- 91.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 233
Experimental & physicochemical properties
DrugsPharmaceuticals -> Antibiotics
Physicochemical properties
- Melting point
- 146 · 146-162° (dec)
- alpha
- 27.5 · D27.5 -0.5° (c = 8.46% in H2O at pH 5.18)
- Boiling point
- 303.75 °C · 303.75°C (rough estimate)
- Density
- 1.583 · 1.5830 (rough estimate)
- refractive index
- 1.619 · 1.6190 (estimate)
- storage temp.
- 2 · 2-8°C
- solubility
- 2 O: · H2O: 50 mg/mL, clear, yellow
- pka
- 8.55 · 8.55(at 25℃)
- form
- lyophilized powder
- color
- Light-yellow needles from EtOH (aq)
- optical activity
- -0.527 · -0.527.5 (H2O)
- Merck
- 13 · 13,902
- BRN
- 1726602 · 1726602
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
- F
- 10
- PPE
- Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
- wgk
- 3
- rtecs
- VT9625000
- ridadr
- UN 3462 6.1/PG 3
- Toxicity
- LD50 in mice, rats (mg/kg/day): 150, 170 orally (Sternberg, Philips)
- risk_code
- 25-40
- Signal word
- Danger
- Symbol(GHS)
- GHS06,GHS08
- hazard_code
- T
- safety_code
- 53-36/37/39-45
- hazard_class
- 6.1(b)
- Storage Class
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- packing_group
- III
- Hazard statements
- H301-H351
- Hazard Classifications
- Acute Tox. 3 OralCarc. 2
- Precautionary statements
- P201-P301+P310+P330
- Hazardous Substances Data
- 115-02-6(Hazardous Substances Data)
Chemistry & industry
Applications
Usesantineoplastic, amino acid antagonist
UsesReagent used to induce pancreatic cancer in experimental animal models.
General DescriptionPale yellow to green crystals. Used as an antifungal agent.
Upstream & downstream products
Upstream raw materials
Suppliers52 total
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
Nantong HI-FUTURE Biology Co., Ltd.+86-18051384581 · [email protected]
Syntechem Co.,Ltd[email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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