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4-Pyridoxic acid

4-Pyridoxic acid structure

CAS No:
82-82-6
Formula:
C8H9NO4
Chemical Name:
4-Pyridoxic acid
Synonyms:
4-Pyridinecarboxylic acid,3-hydroxy-5-(hydroxymethyl)-2-methyl-;Isonicotinic acid,3-hydroxy-5-(hydroxymethyl)-2-methyl-;3-Hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinecarboxylic acid;3-Hydroxy-5-(hydroxymethyl)-2-methylisonicotinic acid;2-Methyl-3-hydroxy-4-carboxy-5-hydroxymethylpyridine;4-Pyridoxic acid;4-Pyridoxinecarboxylic acid;4-Pyridoxylic acid;4-Pyridoxinic acid;Pyridoxic acid;NSC 41814
Categories:
Chemical Reagents > Organic Reagents

Description

4-Pyridoxic acid is a catabolic product of vitamin B6 which is excreted in the urine.

Solid

4-pyridoxic acid is a methylpyridine that is 2-methylpyridine substituted by a hydroxy group at C-3, a carboxy group at C-4, and a hydroxymethyl group at C-5. It is the catabolic product of vitamin B6 and is excreted in the urine. It has a role as a mouse metabolite and a human urinary metabolite. It is a member of methylpyridines, a hydroxymethylpyridine, a monohydroxypyridine and a vitamin B6. It derives from an isonicotinic acid. It is a conjugate acid of a 4-pyridoxate.|The catabolic product of most of VITAMIN B 6; (PYRIDOXINE; PYRIDOXAL; and PYRIDOXAMINE) which is excreted in the urine.

4-Pyridoxic acid Basic Attributes

Molecular Weight：

183.16100

Exact Mass：

183.16

EC Number：

201-440-8

UNII：

5K18793O8D

NSC Number：

41814

HScode：

2933399090

Characteristics

PSA：

90.65000

XLogP3：

0.28610

Appearance：

Solid

Density：

1.48g/cm3

Melting Point：

247.5 °C

Boiling Point：

584.5ºC at 760 mmHg

Flash Point：

307.3ºC

Refractive Index：

1.637

Water Solubility：

4337 mg/L @ 25 °C (est)

Collision Cross Section：

135.8 Å² [M+H]+ [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)]|135.3 Å² [M+H]+ [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)]|137.27 Å² [M+H]+ [CCS Type: DT, Method: stepped-field]|151.78 Å² [M+Na]+ [CCS Type: DT, Method: stepped-field]|130 Å² [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine]|135.5 Å² [M+H]+ [CCS Type: DT, Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]|147.4 Å² [M+K]+ [CCS Type: DT, Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]|150.2 Å² [M+Na]+ [CCS Type: DT, Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]|130.6 Å² [M-H]- [CCS Type: DT, Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]|130.9 Å² [M-H]-

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-36

RTECS Number：

NS1800000

Marks：

Xi: Irritant;

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

GHS Classification：

|Warning|H315 (97.44%): 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|Aggregated GHS information provided by 39 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

4 Pyridoxic Acid

Computed Properties

Molecular Weight:183.16
XLogP3:0.1
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:183.05315777
Monoisotopic Mass:183.05315777
Topological Polar Surface Area:90.6
Heavy Atom Count:13
Complexity:197
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Manufactory Supplier of 4-(Pentafluorothio)aniline,Pentafluoro,Pentafluorothio,Pentafluorosulfur,[4-(bromomethyl)phenyl]-pentafluoro-lambda6-sulfane,[4-(pentafluoro-sulfanyl)phenyl]acetic acid

82-82-6 3-hydroxy-5-(hydroxymethyl)-2-methylpyridine-4-carboxylic acid

CAS No.: 82-82-6

Grade: Industrial Grade

Content: 95%

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