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NICOTINAMIDE-2,4,5,6-D4

NICOTINAMIDE-2,4,5,6-D4 structure

CAS No:
347841-88-7
Formula:
C6H2D4N2O
Chemical Name:
NICOTINAMIDE-2,4,5,6-D4
Synonyms:
NICOTINAMIDE-2,4,5,6-D4;3-(AMinocarbonyl)pyridine-d4;3-AMidopyridine-d4;3-CarbaMoylpyridine-d4;3-PyridinecarboxaMide-d4;3-Pyridinecarboxylic acid aMide-d4;AMinicotin-d4;Benicot-d4
Categories:
Chemical Reagents > Deuterated Reagents

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Description

White Solid

NICOTINAMIDE-2,4,5,6-D4 Basic Attributes

Molecular Weight：

126.15

Exact Mass：

126.07300

DSSTox ID：

DTXSID20574036

Characteristics

PSA：

XLogP3：

0.88080

Density：

1.245g/cm3

Melting Point：

125-127°C

Boiling Point：

334.411ºC at 760 mmHg

Flash Point：

156.047ºC

Refractive Index：

1.57

Storage Conditions：

-20°C Freezer

Safety Information

hazard class code：

36/37/38

safety instructions：

26-36/37/39-45

Marks：

Precautionary statement(s)：

P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501

Hazard Statements：

H315

NICOTINAMIDE-2,4,5,6-D4 Use and Manufacturing

Labelled Nicotinamide, precursor of the coenzymes NAD and NADP. Nicotinamide is a water soluble vitamin (enzyme cofactor).

Computed Properties

Molecular Weight:126.15
XLogP3:-0.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:126.073119803
Monoisotopic Mass:126.073119803
Topological Polar Surface Area:56
Heavy Atom Count:9
Complexity:114
Isotope Atom Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes