2-(Phosphonooxy)acrylic acid compound with cyclohexylamine (1:3)

C9H18NO6PCAS 35556-70-8267.22 g/mol

Open in Covalent MOL file
OPOOHOHOHOH2N
AlkeneCarboxylic acidPhosphatePrimary amine

Properties

Molecular formula
C9H18NO6P
Molar mass
267.22 g/mol
Exact mass
267.0872 Da
logP
0.97Crippen estimate
Polar surface area
130.1 Ų
H-bond donors / acceptors
4 / 4
Rotatable bonds
3

Hazards

Warning
Irritant (GHS07)

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
35556-70-8
SMILES
C=C(OP(=O)(O)O)C(=O)O.NC1CCCCC1
InChIKey
VHFCNZDHPABZJO-UHFFFAOYSA-N
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)

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Type any one amount. The others follow from the molar mass.

Names and synonyms

5 names
  • 2-Propenoic acid, 2-(phosphonooxy)-, cyclohexanamine (1:3)
  • 2-Propenoic acid, 2-(phosphonooxy)-, compd. with cyclohexanamine (1:3)
  • Pyruvic acid, phosphate, cyclohexylamine salt (1:3)
  • Tricyclohexylamine phosphoenolpyruvate
  • Phosphoenolpyruvate tricyclohexylammonium salt

Work with 2-(Phosphonooxy)acrylic acid compound with cyclohexylamine (1:3)

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Cyclohexylamine108-91-8Free base Cyclohexylammonium bromide26227-54-3Salt Cyclohexylamine hydrochloride4998-76-9Salt Phenolphthalein monophosphate bis(cyclohexylammonium) salt14815-59-9Salt Beta-nadph tetra(cyclohexylammonium) salt100929-71-3Salt Phosphoric acid, mono(4-nitrophenyl) ester, compd. with cyclohexanamine (1:2)52483-84-8Salt X-Gluc114162-64-0Salt 5-Bromo-6-chloro-3-indolyl-D-glucuronide cyclohexylammonium salt144110-43-0Salt Dansyl-dl-aspartic acid di(cyclohexylamm102783-64-2Salt L-Alanine, N-[[5-(dimethylamino)-1-naphthalenyl]sulfonyl]-, compd. with cyclohexanamine (1:1)53332-27-7Salt L-Ornithine, N5-[imino[[(4-methoxy-2,3,6-trimethylphenyl)sulfonyl]amino]methyl]-N2-[(phenylmethoxy)carbonyl]-, compd. with cyclohexanamine (1:1)80745-09-1Salt Monopotassium phosphoenolpyruvate4265-07-0Salt

Similar compounds

Cyclododecanamine1502-03-033 % similar O-Phospho-DL-serine17885-08-433 % similar Phosphoserine407-41-033 % similar Cycloheptylamine5452-35-733 % similar Cyclooctylamine5452-37-933 % similar (αS)-α-Aminocyclohexaneacetic acid14328-51-931 % similar D-Alpha-cyclohexylglycine14328-52-031 % similar Amino-cyclohexyl-acetic acid5664-29-931 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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