Bis-tris propane

C₁₁H₂₆N₂O₆CAS 64431-96-5282.34 g/mol

Open in Covalent MOL file

Alcohol Secondary amine

Properties

Molecular formula: C₁₁H₂₆N₂O₆
Molar mass: 282.34 g/mol
Exact mass: 282.1791 Da
logP: -4.01Crippen estimate
Polar surface area: 145.4 Å²
H-bond donors / acceptors: 8 / 8
Rotatable bonds: 12

Hazards

Warning

H315 Causes skin irritation41.7% of notifiers
H319 Causes serious eye irritation75% of notifiers
H335 May cause respiratory irritation41.7% of notifiers

Aggregated from 12 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

64431-96-5

SMILES

OCC(CO)(CO)NCCCNC(CO)(CO)CO

InChIKey

HHKZCCWKTZRCCL-UHFFFAOYSA-N

InChI

InChI=1S/C11H26N2O6/c14-4-10(5-15,6-16)12-2-1-3-13-11(7-17,8-18)9-19/h12-19H,1-9H2

Weigh it out

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

Names and synonyms

7 names

1,3-Propanediol, 2,2′-(1,3-propanediyldiimino)bis[2-(hydroxymethyl)-
2,2′-(1,3-Propanediyldiimino)bis[2-(hydroxymethyl)-1,3-propanediol]
1,3-Bis[tris(hydroxymethyl)methylamino]propane
BTP
NSC 610927
1,3-Bis[1,1-bis(hydroxymethyl)-2-hydroxyethylamino]propane
2-[3-[[1,3-Dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]propylamino]-2-(hydroxymethyl)propane-1,3-diol

Work with Bis-tris propane

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

N-(Tris(hydroxymethyl)methyl)-3-aminopropanesulfonic acid29915-38-656 % similar N-[Tris(hydroxymethyl)methyl]-3-aminopropanesulfonic acid sodium salt91000-53-248 % similar Tes (buffer)7365-44-848 % similar Tricine5704-04-142 % similar Ethanesulfonic acid, 2-[[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]amino]-, sodium salt (1:1)70331-82-742 % similar TAPSO68399-81-532 % similar Pentaerythritol115-77-532 % similar 4-(Hydroxymethyl)piperidin-4-ol89584-31-631 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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