AMPSO

C₇H₁₇NO₅SCAS 68399-79-1227.27 g/mol

Open in Covalent MOL file

Alcohol Secondary amine Sulfonic acid

Properties

Molecular formula: C₇H₁₇NO₅S
Molar mass: 227.27 g/mol
Exact mass: 227.0827 Da
logP: -1.40Crippen estimate
Polar surface area: 106.9 Å²
H-bond donors / acceptors: 4 / 5
Rotatable bonds: 6

Hazards

Danger

H301 Toxic if swallowed33.3% of notifiers
H311 Toxic in contact with skin33.3% of notifiers
H315 Causes skin irritation66.7% of notifiers
H319 Causes serious eye irritation66.7% of notifiers
H332 Harmful if inhaled33.3% of notifiers
H335 May cause respiratory irritation33.3% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

68399-79-1

SMILES

CC(C)(CO)NCC(O)CS(=O)(=O)O

InChIKey

ACERFIHBIWMFOR-UHFFFAOYSA-N

InChI

InChI=1S/C7H17NO5S/c1-7(2,5-9)8-3-6(10)4-14(11,12)13/h6,8-10H,3-5H2,1-2H3,(H,11,12,13)

Weigh it out

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

Names and synonyms

6 names

2-Hydroxy-3-[(1-hydroxy-2-methylpropan-2-yl)amino]propane-1-sulfonic acid
1-Propanesulfonic acid, 2-hydroxy-3-[(2-hydroxy-1,1-dimethylethyl)amino]-
2-Hydroxy-3-[(2-hydroxy-1,1-dimethylethyl)amino]-1-propanesulfonic acid
NSC 378146
3-[(1,1-Dimethyl-2-hydroxyethyl)amino]-2-hydroxypropanesulfonic acid
2-Hydroxy-3-((1-hydroxy-2-methylpropan-2-yl)amino)propane-1-sulfonicacid

Work with AMPSO

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.

Ampso sodium salt102029-60-7Salt

Similar compounds

TAPSO68399-81-569 % similar CAPSO73463-39-546 % similar 3-[N-Tris(hydroxymethyl)methylamino]-2-hydroxypropanesulfonic acid sodium salt105140-25-841 % similar Piperazine-N,N′-bis(2-hydroxypropanesulfonic acid)68189-43-540 % similar 3-[Bis(2-hydroxyethyl)amino]-2-hydroxypropanesulfonic acid68399-80-440 % similar N-2-Hydroxyethylpiperazine-N′-2-hydroxypropanesulfonic acid68399-78-038 % similar Tes (buffer)7365-44-837 % similar 2-Hydroxy-3-morpholinopropanesulfonic acid68399-77-936 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook