1-[Bis[3-(dimethylamino)propyl]amino]-2-propanol

Inquiry

Molecular Formula:

C13H31N3O

Molecular Weight:

245.40

CAS Number:

67151-63-7

Catalog Number:

67151-63-7

Product Information

Molecular Formula:

C13H31N3O

Molecular Weight:

245.40

Description

Catalyst for low-density packaging foams. Contains terminal hydroxyl groups that can react with isocyanates.

Synonyms

N ,N -Bis(3-dimethylaminopropyl)-N -(2-hydroxypropyl)amine

IUPAC Name

1-[bis[3-(dimethylamino)propyl]amino]propan-2-ol

Canonical SMILES

CC(CN(CCCN(C)C)CCCN(C)C)O

InChI

InChI=1S/C13H31N3O/c1-13(17)12-16(10-6-8-14(2)3)11-7-9-15(4)5/h13,17H,6-12H2,1-5H3

InChI Key

NWDRKFORNVPWLY-UHFFFAOYSA-N

Boiling Point

290ºC

Flash Point

Not applicable

Purity

95%

Density

0.89

Refractive Index

n20/D 1.459 (lit.)

Safety Information

Hazards

H302 - H312 - H314 - H332

Precautionary Statement

P280 - P305 + P351 + P338 - P310

Computed Properties

XLogP3

0.8

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

245.246712621 g/mol

Monoisotopic Mass

245.246712621 g/mol

Topological Polar Surface Area

30Å²

Heavy Atom Count

Formal Charge

Complexity

160

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

Compound Is Canonicalized

Yes

The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

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The dilution calculator equation

Concentration _(start) × Volume _(start) = Concentration _(final) × Volume _(final)

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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1-[Bis[3-(dimethylamino)propyl]amino]-2-propanol

Product Information

Safety Information

Computed Properties

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