Basic information
- CAS
94107-66-1- Standard SMILES
CC(C)N(CP(=O)([O-])[O-])CP(=O)(O)O.[NH4+].[NH4+]- InChIKey
ZXNFLOLUPCEWJB-UHFFFAOYSA-N- Molecular formula
- C5H21N3O6P2
- Average molar mass
- 281.18 g/mol
- Monoisotopic mass
- 281.09055939
Names & identifiers
- Preferred name
- Diammonium dihydrogen [[(1-methylethyl)imino]bis(methylene)]bisphosphonate
- IUPAC
- diazanium;[phosphonatomethyl(propan-2-yl)amino]methylphosphonic acid
- English name
- diammonium dihydrogen [[(1-methylethyl)imino]bis(methylene)]bisphosphonate
- Molecular formula
- C5H21N3O6P2
- Molecular weight
- 281.184262
Names & synonyms
94107-66-1EINECS 302-301-5Diammonium dihydrogen (((1-methylethyl)imino)bis(methylene))bisphosphonateDTXSID60240541DIAMMONIUM DIHYDROGEN [[(1-METHYLETHYL)IMINO]BIS(METHYLENE)]BISPHOSPHONATERefChem:132630DTXCID90163032302-301-5Q85EK355HVDiammonium {[(phosphonomethyl)(propan-2-yl)amino]methyl}phosphonatePhosphonic acid, [[(1-methylethyl)imino]bis(methylene)]bis-, diammonium salt
Database identifiers
- CAS
94107-66-1- PubChem CID
- 44153183
- DTXSID
DTXSID60240541- UNII
- Q85EK355HV
- EC Number
- 302-301-5
Properties
Computed structural properties
- Topological polar surface area
- 126 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 256
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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