Basic information
- CAS
23605-74-5- Standard SMILES
O=P(O)(O)CN(CCCCCCN(CP(=O)(O)O)CP(=O)(O)O)CP(=O)(O)O- InChIKey
KIDJHPQACZGFTI-UHFFFAOYSA-N- Molecular formula
- C10H28N2O12P4
- Average molar mass
- 492.23 g/mol
- Monoisotopic mass
- 492.05927232
Names & identifiers
- Preferred name
- Hexanediaminetetra(methylenephosphonic acid)
- IUPAC
- [6-[bis(phosphonomethyl)amino]hexyl-(phosphonomethyl)amino]methylphosphonic acid
- English name
- HDTMPA
- Molecular formula
- C10H28N2O12P4
- Molecular weight
- 492.23
Names & synonyms
HDTMPDequest 2051Phosphonic acid, [1,6-hexanediylbis[nitrilobis(methylene)]]tetrakis-8MUB34NVUIHexanediaminetetra(methylenephosphonic acid)EINECS 245-781-0BRN 2405158(1,6-Hexanediylbis(nitrilobis(methylene)))tetrakisphosphonic acidDequest 2051 deflocculant and sequestrantPhosphonic acid, (1,6-hexanediylbis(nitrilobis(methylene)))tetrakis-DTXSID9066916Phosphonic acid, P,P',P'',P'''-(1,6-hexanediylbis(nitrilobis(methylene)))tetrakis-
Show more names
HMDTMPHDTMPAdequest2051dequest 2054DEQUEST 2054(R)Dequest(R) 2054Hexamethylenediamine-N,N,N'-tetrakis(methylphosphonic acid)dequest2051deflocculantandsequestrant
Phosphonic acid, hexamethylenebis(nitrilodimethylene)tetra-1,6-HEXANEDIAMINETETRAKIS(METHYLENE PHOSPHONIC ACID)(Hexane-1,6-diylbis(nitrilobis(methylene)))tetrakisphosphonic acid(HEXAMETHYLENEDINITRILO)TETRAKIS(METHYLENEPHOSPHONIC ACID)[hexane-1,6-diylbis[nitrilobis(methylene)]]tetrakisphosphonic acidN,N,N',N'-1,6-HEXAMETHYLENEDIAMINETETRAKIS(METHYLENEPHOSPHONIC ACID)Phosphonic acid, P,P',P'',P'''-[1,6-hexanediylbis[nitrilobis(methylene)]]tetrakis-RefChem:786335
Properties
Computed structural properties
- XLogP
- -9.7
- Topological polar surface area
- 237 Ų
- Hydrogen bond donors
- 8
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 15
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 547
Physicochemical properties
- Melting point
- 242 °C · 242 °C
- Boiling point
- 546.04 °C · 546.04°C (rough estimate)
- Density
- 1.4353 · 1.4353 (rough estimate)
- refractive index
- 1.53 · 1.5300 (estimate)
- pka
- 0.7 · 0.70±0.10(Predicted)
- Stability
- Hygroscopic
- InChI
- InChI=1S/C10H28N2O12P4/c13-25(14,15)7-11(8-26(16,17)18)5-3-1-2-4-6-12(9-27(19,20)21)10-28(22,23)24/h1-10H2,(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)
- InChIKey
- KIDJHPQACZGFTI-UHFFFAOYSA-N
- SMILES
- N(CCCCCCN(CP(=O)(O)O)CP(=O)(O)O)(CP(=O)(O)O)CP(=O)(O)O
- FDA UNII
- 8 MUB34NVUI · 8MUB34NVUI
- EPA Substance Registry System
- 1 · Phosphonic acid, [1,6-hexanediylbis[nitrilobis(methylene)]]tetrakis- (23605-74-5)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)
Aggregated GHS information provided per 107 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: Phosphonic acid, [1,6-hexanediylbis[nitrilobis(methylene)]]tetrakis-
Phosphonic acid, 1,6-hexanediylbisnitrilobis(methylene)tetrakis-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- wgk
- 1
- tsca
- TSCA listed
- rtecs
- SZ8560500
- Toxicity
- rabbit,LD50,skin,> 7940mg/kg (7940mg/kg),BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)BEHAVIORAL: FOOD INTAKE (ANIMAL),Acute Toxicity Data. Journal of the American College of Toxicology, Part B. Vol. 1, Pg. 99, 1990.
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPhosphonic acid, P,P',P'',P'''-[1,6-hexanediylbis[nitrilobis(methylene)]]tetrakis-: ACTIVE
Applications
UsesHexamethylenediamine-N,N,N'',N''-tetrakis(methylphosphonic Acid) is used in the acute toxicologic evaluation DEQUEST 2051. It is also used in tatar formation inhibition compositions. Hexamethylenediamine-N,N,N'',N''-tetrakis(methylphosphonic Acid) is used in the studies of calcium oxalate crystal growth inhibition by multidentated organic phosphonate.
Upstream & downstream products
Upstream raw materials
Suppliers100 total
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
南通润丰石油化工有限公司66017690 19952660367 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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