Caps (buffer)

C₉H₁₉NO₃SCAS 1135-40-6221.31 g/mol

Open in Covalent MOL file

Secondary amine Sulfonic acid

Properties

Molecular formula: C₉H₁₉NO₃S
Molar mass: 221.31 g/mol
Exact mass: 221.1086 Da
Melting point: 302.5 °C
logP: 1.19Crippen estimate
Polar surface area: 66.4 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 5

Hazards

Warning

H315 Causes skin irritation11.5% of notifiers
H319 Causes serious eye irritation11.5% of notifiers
H335 May cause respiratory irritation10.3% of notifiers

Aggregated from 78 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

1135-40-6

SMILES

O=S(=O)(O)CCCNC1CCCCC1

InChIKey

PJWWRFATQTVXHA-UHFFFAOYSA-N

InChI

InChI=1S/C9H19NO3S/c11-14(12,13)8-4-7-10-9-5-2-1-3-6-9/h9-10H,1-8H2,(H,11,12,13)

Weigh it out

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

Names and synonyms

9 names

1-Propanesulfonic acid, 3-(cyclohexylamino)-
3-(Cyclohexylamino)-1-propanesulfonic acid
Cyclohexylaminopropanesulfonic acid
CAPS
3-(Cyclohexylamino)propanesulfonic acid
WAS-12
N-Cyclohexyl-3-aminopropanesulfonic acid
CAPS (buffering agent)
3-(Cyclohexylamino)propane-1-sulfonate

Work with Caps (buffer)

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

Similar compounds

Ches (buffer)103-47-982 % similar CAPSO73463-39-554 % similar 1,3-Propanedisulfonic acid21668-77-948 % similar 1,4-Butanedisulfonic acid27665-39-048 % similar 2-(Cyclohexylamino)ethanol2842-38-845 % similar N-(Tris(hydroxymethyl)methyl)-3-aminopropanesulfonic acid29915-38-644 % similar (S)-2-(Piperidin-2-yl)ethanol103639-57-244 % similar 2-Piperidineethanol1484-84-044 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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