(1-Aminoethylidene)bisphosphonic acid
Basic information
- CAS
15049-85-1- Standard SMILES
CC(N)(P(=O)(O)O)P(=O)(O)O- InChIKey
GPCTYPSWRBUGFH-UHFFFAOYSA-N- Molecular formula
- C2H9NO6P2
- Average molar mass
- 205.04 g/mol
- Monoisotopic mass
- 204.990511
Names & identifiers
- Preferred name
- (1-Aminoethylidene)bisphosphonic acid
- IUPAC
- (1-amino-1-phosphonoethyl)phosphonic acid
- English name
- (1-aminoethylidene)bisphosphonic acid
- Molecular formula
- C2H9NO6P2
- Molecular weight
- 205.04
Names & synonyms
15049-85-1(1-Aminoethylidene)bisphosphonic acidEINECS 239-120-5DTXSID50164560RefChem:68118DTXCID7087051239-120-5(1-amino-1-phosphonoethyl)phosphonic acid(1-Aminoethane-1,1-diyl)diphosphonic acidCHEMBL3717481-aminoethylidenediphosphonic acid(1-aminoethane-1,1-diyl)bis(phosphonic acid)
Show more names
1-(Aminoethylidene)-1,1-diphosphonic acidPhosphonic acid, P,P'-(1-aminoethylidene)bis-
SCHEMBL1437691-amino-1,1-diphosphono ethane8RT9L7X976QAA049851-aminoethane-1,1-diphosphonic acidBDBM50173054EBC-14261STL347102
Database identifiers
- CAS
15049-85-1- PubChem CID
- 84770
- DTXSID
DTXSID50164560- ChEMBL
CHEMBL371748- UNII
- 8RT9L7X976
- EC Number
- 239-120-5
- Nikkaji
- J241.378G
Properties
Computed structural properties
- XLogP
- -6.2
- Topological polar surface area
- 141 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 215
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
11 records
Compound notes
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