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1,4,7-Triazacyclononane

1,4,7-Triazacyclononane structure

CAS No:
4730-54-5
Formula:
C6H15N3
Chemical Name:
1,4,7-Triazacyclononane
Synonyms:
1H-1,4,7-Triazonine,octahydro-;Octahydro-1H-1,4,7-triazonine;1,4,7-Triazacyclononane;NSC 681101;1,4,7-Triazonane;TACN;2323114-17-4
Categories:
Chemical Reagents > Organic Reagents

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Description

White - light yellow solid

1,4,7-triazonane is a saturated organic heteromonocyclic parent, a crown amine and an azacycloalkane.

1,4,7-Triazacyclononane Basic Attributes

Molecular Weight：

129.2

Exact Mass：

129.20

EC Number：

1592732-453-0

UNII：

2UIF93C5H3

NSC Number：

681101

DSSTox ID：

DTXSID50197095

HScode：

2933990090

Characteristics

PSA：

36.1

XLogP3：

-1.76

Appearance：

white crystal

Density：

0.9±0.1 g/cm3

Melting Point：

62 °C

Boiling Point：

110-130 °C7 mm Hg(lit.)

Flash Point：

>230 °F

Refractive Index：

1.424

Storage Conditions：

2-8°C

Safety Information

Packing level：

III

Hazard category：

Transport codes：

UN 3259 8/PG 2

wgk germany：

hazard class code：

safety instructions：

26-36/37/39-45

Marks：

Precautionary statement(s)：

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

Hazard Statements：

H314

GHS Classification：

|Danger|H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]|P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501|Aggregated GHS information provided by 40 companies from 2 notifications to the ECHA C&L Inventory.

Drug Information

MeSH Entry Terms：

1,4,7-triazacyclononane

1,4,7-Triazacyclononane Use and Manufacturing

It may be applied to complex titration with high cationic binding selectivity; as raw material for the synthesis of 1,4,7-trifunctional derivatives, they can be used in the field of metal complex

Computed Properties

Molecular Weight:129.20
XLogP3:-1.9
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:3
Exact Mass:129.126597491
Monoisotopic Mass:129.126597491
Topological Polar Surface Area:36.1
Heavy Atom Count:9
Complexity:45.1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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