Basic information
- CAS
13269-28-8- Standard SMILES
NC(N)=NOCCC(N)C(=O)O- InChIKey
FSBIGDSBMBYOPN-UHFFFAOYSA-N- Molecular formula
- C5H12N4O3
- Average molar mass
- 176.17 g/mol
- Monoisotopic mass
- 176.09094026
Overview
DL-Canavanine is an alpha-amino acid.
Names & identifiers
- Preferred name
- O-((Aminoiminomethyl)amino)homoserine
- IUPAC
- 2-amino-4-(diaminomethylideneamino)oxybutanoic acid
- English name
- Homoserine, O-[(aminoiminomethyl)amino]-
- Molecular formula
- C5H12N4O3
- Molecular weight
- 176.17
Names & synonyms
13269-28-8O-((Aminoiminomethyl)amino)homoserineO-[(aminoiminomethyl)amino]homoserineRefChem:1093527DL-CanavanineCanavanine, DL-(+/-)-CanavanineCanavanine, (+/-)-Canavanine DL-form [MI]QXB6XSA047Homoserine, O-((aminoiminomethyl)amino)-DL-Homoserine, O-((aminoiminomethyl)amino)-
Show more names
Homoserine, O-[(aminoiminomethyl)amino]-2-azaniumyl-4-(diaminomethylideneamino)oxybutanoate
Butyric acid, 2-amino-4-(guanidinooxy)-, DL-O-{[amino(imino)methyl]amino}homoserine sulfate (salt)homoserine, O-[(aminoiminomethyl)amino]-, sulfate (1:1) (salt)UNII-QXB6XSA0472-amino-4-(diaminomethylideneamino)oxybutanoic acidSCHEMBL151096CHEMBL182461SCHEMBL4750912
Database identifiers
- CAS
13269-28-8- PubChem CID
- 275
- DTXSID
DTXSID40859473- ChEMBL
CHEMBL182461- ChEBI
Properties
Computed structural properties
- XLogP
- -4.8
- Topological polar surface area
- 137 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 178
Physicochemical properties
- Melting point
- 180 · 180-184 °C
- Boiling point
- 365.8 · 365.8±52.0 °C(Predicted)
- Density
- 1.61 · 1.61±0.1 g/cm3(Predicted)
- pka
- 2.16 · 2.16±0.10(Predicted)
- FDA UNII
- 6 XSA047 · QXB6XSA047
Chemistry & industry
Suppliers1 total
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
Additional notes
DefinitionChEBI: DL-Canavanine is an alpha-amino acid.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…