Basic information
- CAS
5995-28-8- Standard SMILES
CCCCN(CP(=O)(O)O)CP(=O)(O)O- InChIKey
VXYOTIXPEUMUSS-UHFFFAOYSA-N- Molecular formula
- C6H17NO6P2
- Average molar mass
- 261.15 g/mol
- Monoisotopic mass
- 261.05311126
Names & identifiers
- Preferred name
- ((Butylimino)bis(methylene))bisphosphonic acid
- IUPAC
- [butyl(phosphonomethyl)amino]methylphosphonic acid
- English name
- [(butylimino)bis(methylene)]bisphosphonic acid
- Molecular formula
- C6H17NO6P2
- Molecular weight
- 261.149802
Names & synonyms
((Butylimino)bis(methylene))bisphosphonic acidVUH6DU2BZV[(butylimino)bis(methylene)]bisphosphonic acidEINECS 227-827-1DTXSID90208654Phosphonic acid, [(butylimino)bis(methylene)]bis-((BUTYLIMINO)DIMETHYLENE)BIS(PHOSPHONIC ACID)(BUTYL(PHOSPHONOMETHYL)AMINO)METHYLPHOSPHONIC ACIDPHOSPHONIC ACID, ((BUTYLIMINO)BIS(METHYLENE))BIS-RefChem:67114DTXCID40131145227-827-1
Show more names
5995-28-8[(Butylazanediyl)bis(methylene)]bis(phosphonic acid)UNII-VUH6DU2BZVbis(phosphonomethyl)butylamineSCHEMBL10643497VXYOTIXPEUMUSS-UHFFFAOYSA-NSTK040101AKOS001710894
Database identifiers
- CAS
5995-28-8- PubChem CID
- 80095
- DTXSID
DTXSID90208654- UNII
- VUH6DU2BZV
- EC Number
- 227-827-1
- Nikkaji
- J223.933G
Properties
Computed structural properties
- XLogP
- -4.2
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 247
Physicochemical properties
- FDA UNII
- 6 DU2BZV · VUH6DU2BZV
Chemistry & industry
Suppliers1 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…