Nicotinuric acid
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Nicotinuric acid
structure -
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CAS No:
583-08-4
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Formula:
C8H8N2O3
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Chemical Name:
Nicotinuric acid
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Synonyms:
Glycine,N-(3-pyridinylcarbonyl)-;Glycine,N-nicotinoyl-;N-(3-Pyridinylcarbonyl)glycine;Nicotinylglycine;Nicotinoylglycine;Nicotinuric acid;NSC 71273;2-(Nicotinylamino)acetic acid;(Nicotinoylamino)acetic acid;[(Pyridin-3-ylcarbonyl)amino]acetic acid;2-[(Pyridin-3-yl)formamido]acetic acid;2-(Pyridin-3-ylformamido)acetic acid;2-(Nicotinamido)aceticacid;2-(Pyridine-3-carbonylamino)acetic acid
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CAS No:
Description
Nicotinuric acid is an acyl glycine. Nicotinuric acid is a metabolite of nicotinic acid.
Solid
N-nicotinoylglycine is an N-acylglycine having nicotinoyl as the acyl substituent. It has a role as a human urinary metabolite.
Nicotinuric acid Basic Attributes
180.16
180.16
209-497-0
77V5315PIU
71273
DTXSID50207022
2933399090
Characteristics
79.3
-0.4
Solid
1.49 g/cm3
242-244 °C (decomp)
85-90 °C @ Press: 12-20 Torr
263.7±24.6 °C
1.572
soluble in dimethyl sulfoxide, methanol, water, and 1M NH4OH (50 mg/mL).
Store at 0-5°C
143.6 Ų [M+H]+ [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)]|138.08 Ų [M-H]- [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)]
Safety Information
IRRITANT
NONH for all modes of transport
3
Xi
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Computed Properties
Molecular Weight:180.16
XLogP3:-0.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:180.05349212
Monoisotopic Mass:180.05349212
Topological Polar Surface Area:79.3
Heavy Atom Count:13
Complexity:206
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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