Basic information
- CAS
10526-80-4- Standard SMILES
C=C(OP(=O)(O)O)C(=O)O.NC1CCCCC1- InChIKey
VHFCNZDHPABZJO-UHFFFAOYSA-N- Molecular formula
- C6H13N.C3H5O6P
- Average molar mass
- 267.22 g/mol
- Monoisotopic mass
- 267.08717429
Names & identifiers
- Preferred name
- 2-Propenoic acid, 2-(phosphonooxy)-, compd. with cyclohexanamine (1:1)
- IUPAC
- cyclohexanamine;2-phosphonooxyprop-2-enoic acid
- English name
- Phosphoenolpyruvic acid cyclohexylammonium salt
- Molecular formula
- C6H13N.C3H5O6P
- Molecular weight
- 267.22
Names & synonyms
10526-80-4EINECS 234-084-7DTXSID30651102-Propenoic acid, 2-phosphonoxy-, monocyclohexylammonium saltRefChem:89232DTXCID0032944Cyclohexanamine 2-(phosphonooxy)acrylatePhospho(enol)pyruvic acid cyclohexylammonium saltPHOSPHOENOLPYRUVIC ACID CYCLOHEXYLAMMONIUM SALTMFCD00036375Phosphoenolpyruvic Acid Monocyclohexylammonium SaltM02737
Show more names
PEP-CHAPHOSPHOENOLPEP CHXPEP-MONOPEP MSHA SALTPEP MCHA SALTClomifene Impurity 13PEP mono(cyclohexylamine) saltCyclohexanamine 2-(phosphonooxy)PEP, monocyclohexylammonium salt
Phosphoenolpyruvate, monocyclohexylammonium saltPhosphoenolpyruvic acid (cyclohexylammonium salt)Phosphoenolpyruvic acid (cyclohexylammoniu?m salt)Phosphoenolpyruvic acid mono(cyclohexylammonium) saltC9H18NO6PCyclohexylamine, Compound with 2-Hydroxyacrylic Acid, di-H Phosphate (1:1) (7CI)Cyclohexylammonium Phosphoenolpyruvate; 2-Phosphoenolpyruvate Monocyclohexylammonium(PEP)2-(Phosphonooxy)-2-propenoic acid monopotassium salt2-(Phosphonooxy)acrylic acid, compound with cyclohexylamine (1:1)
Properties
Computed structural properties
- Topological polar surface area
- 130 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 247
Physicochemical properties
- Melting point
- 140 °C · 140°C
- Density
- 1.36 g/cm3 · 1.36 g/cm3
- storage temp.
- -20 °C · -20°C
- solubility
- DMSO (Slightly), Methanol (Slightly)
- form
- powder to crystal
- color
- White to Almost white
- Stability
- Hygroscopic
- InChI
- InChI=1S/C6H13N.C3H5O6P/c7-6-4-2-1-3-5-6;1-2(3(4)5)9-10(6,7)8/h6H,1-5,7H2;1H2,(H,4,5)(H2,6,7,8)
- InChIKey
- VHFCNZDHPABZJO-UHFFFAOYSA-N
- SMILES
- O(P(O)(=O)O)C(=C)C(=O)O.C1CCCCC1N
- CAS DataBase Reference
- 10526 · 10526-80-4(CAS DataBase Reference)
- EPA Substance Registry System
- 2 · 2-Propenoic acid, 2-(phosphonooxy)-, compd. with cyclohexanamine (1:1) (10526-80-4)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
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]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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
Regulatory Information
Chemical: 2-Propenoic acid, 2-(phosphonooxy)-, compound with cyclohexanamine (1:1)
2-Propenoic acid, 2-(phosphonooxy)-, compd. with cyclohexanamine (1:1): Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29213000
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 24/25
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P271-P280
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2-Propenoic acid, 2-(phosphonooxy)-, compd. with cyclohexanamine (1:1): ACTIVE
Applications
UsesPhospho(enol)pyruvic Acid Cyclohexylammonium Salt is a reagent in the general synthesis of ethers.
Suppliers100 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
湖北蝶化新材料科技有限公司86-18372897-544 18995560451 · [email protected]
北京华美互利生物化工010-56205725 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
湖南韵邦生物科技股份有限公司0731-88532326 13319508186 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
上海康朗生物科技有限公司021-61998208 18217752821 · [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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