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N-Nitrosodiethanolamine

N-Nitrosodiethanolamine structure

CAS No:
1116-54-7
Formula:
C4H10N2O3
Chemical Name:
N-Nitrosodiethanolamine
Synonyms:
Ethanol,2,2′-(nitrosoimino)bis-;Ethanol,2,2′-nitrosiminodi-;2,2′-(Nitrosoimino)bis[ethanol];Diethanolnitrosamine;N-Nitrosodiethanolamine;Nitrosodiethanolamine;N,N-Diethanolnitrosamine;N-Nitrosobis(2-hydroxyethyl)amine;NDELA;2-[(2-Hydroxyethyl)(nitroso)amino]ethan-1-ol
Categories:
Analytical Chemistry > Standard

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Description

Reddish Yellow OilYellow to dark brown very viscous liquid with no distinct odor.

N-Nitrosodiethanolamine Basic Attributes

Molecular Weight：

134.13

Exact Mass：

134.13

EC Number：

214-237-4

HScode：

2928000090

Characteristics

PSA：

73.1

XLogP3：

-1.28 (est)

Appearance：

N-nitrosodiethanolamine is a yellow to dark brown very viscous liquid with no distinct odor. (NTP, 1992)

Density：

1.28

Melting Point：

200 °C (decomp)

Boiling Point：

114 °C @ Press: 1.4 Torr

Flash Point：

11℃

Refractive Index：

nD20 1.4849

Water Solubility：

Miscible with water in all proportions; soluble in polar organic solvents; insoluble in non-polar organic solvents

Storage Conditions：

2-8°C

Vapor Pressure：

5X10-4 mm Hg at 20 deg C (est)

Toxicity：

LD50 orl-rat: 7500 mg/kg GISAAA 40(1),81,75

Odor：

Odorless

Safety Information

Packing level：

Hazard category：

3.1

Transport codes：

UN 1993 3/PG 2

wgk germany：

hazard class code：

45-11

safety instructions：

53-45-16

RTECS Number：

KL9550000

Marks：

T,F

Stability/Shelf Life：

Stable at room temperature for more than 14 days in neutral or alkaline aqueous solutions in the dark; slightly less stable in acidic soln; light sensitive, especially to UV light.

Precautionary statement(s)：

P201-P210-P308 + P313

Hazard Statements：

H225-H350

N-Nitrosodiethanolamine Use and Manufacturing

A potent liver carcinogen in several species of animals, is one of the most widespread N-nitroso compounds in the human environment.

Computed Properties

Molecular Weight:134.13
XLogP3:-1.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:134.06914219
Monoisotopic Mass:134.06914219
Topological Polar Surface Area:73.1
Heavy Atom Count:9
Complexity:72.2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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N-Nitrosodiethanolamine

CAS No.: 1116-54-7

Content: 99.00%

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