1,7-Diaminoheptane

Name: 1,7-Diaminoheptane
Brand: BOC Sciences
Rating: 5 (1 reviews)

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Molecular Formula:

C7H18N2

Molecular Weight:

130.23

CAS Number:

646-19-5

Catalog Number:

646-19-5

Product Information

Molecular Formula:

C7H18N2

Molecular Weight:

130.23

Description

1,7-Diaminoheptane (CAS# 646-19-5) is used in preparation of semi-aromatic copolymerized polyamide.

Synonyms

heptane-1,7-diamine

IUPAC Name

heptane-1,7-diamine

Canonical SMILES

C(CCCN)CCCN

InChI

InChI=1S/C7H18N2/c8-6-4-2-1-3-5-7-9/h1-9H2

InChI Key

PWSKHLMYTZNYKO-UHFFFAOYSA-N

Boiling Point

223-225 °C (lit.)

Melting Point

26-29 °C (lit.)

Flash Point

190 °F

Purity

> 98.0 % (GC) (T)

Density

0.86 g/cm³

Appearance

White or colorless to almost white or almost colorless powder to lump to clear liquid

Refractive Index

1.4590

LogP

2.25490

Safety Information

Hazards

H314:
Causes severe skin burns and eye damage.

Precautionary Statement

P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501

Signal Word

Danger

Computed Properties

XLogP3

0.3

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

130.146998583 g/mol

Monoisotopic Mass

130.146998583 g/mol

Topological Polar Surface Area

52Å²

Heavy Atom Count

Formal Charge

Complexity

40.2

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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Volume _(final)

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1,7-Diaminoheptane

Product Information

Safety Information

Computed Properties

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