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Home> Encyclopedia >Pharmaceutical Intermediates>Pharmaceuticals and Biochemicals>Organic Intermediate
6-Aminonicotinic acid structure
6-Aminonicotinic acid structure

6-Aminonicotinic acid

Iupac Name:6-aminopyridine-3-carboxylic acid
CAS No.: 3167-49-5
Molecular Weight:138.12404
Modify Date.: 2022-11-29 10:54
Introduction:

Light yellow Cryst


6-aminonicotinic acid is an aminonicotinic acid in which the amino group is situated at position 6 of the pyridine ring. It has a role as a metabolite. It is an aromatic amine, an aminopyridine and an aminonicotinic acid. It derives from a nicotinic acid.

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1. Names and Identifiers
1.1 Name
6-Aminonicotinic acid
1.2 Synonyms

2-Amino-5-carboxypyridine 2-AMINO-5-PYRIDINECARBOXYLIC ACID 2-AMINOPYRIDINE-5-CARBOXYLIC ACID 3-Pyridinecarboxylic acid, 6-amino- 6-Amino-3-pyridinecarboxylic acid 6-amino-3-pyridinecarboxylicaci 6-AMINOPYRIDINE-3-CARBOXYLIC ACID Nicotinic acid, 6-amino- NSC 229361 RARECHEM AL BO 1167 TIMTEC-BB SBB004186

1.3 CAS No.
3167-49-5
1.4 CID
18496
1.5 EINECS(EC#)
221-630-4
1.6 Molecular Formula
C6H6N2O2 (isomer)
1.7 Inchi
InChI=1S/C6H6N2O2/c7-5-2-1-4(3-8-5)6(9)10/h1-3H,(H2,7,8)(H,9,10)
1.8 InChkey
ZCIFWRHIEBXBOY-UHFFFAOYSA-N
1.9 Canonical Smiles
C1=CC(=NC=C1C(=O)O)N
1.10 Isomers Smiles
C1=CC(=NC=C1C(=O)O)N
2. Properties
2.1 Density
1.417
2.1 Melting point
300℃
2.1 Boiling point
373.6 °C at 760 mmHg
2.1 Refractive index
1.649
2.1 Flash Point
373.6 °C at 760 mmHg
2.1 Precise Quality
138.04300
2.1 PSA
76.21000
2.1 logP
0.94320
2.1 Solubility
ca 1.0 g/L (20 ºC)
2.2 Appearance
White to beige Powder
2.3 Storage
Ambient temperatures.
2.4 Chemical Properties
Light yellow Cryst
2.5 Color/Form
Powder
2.6 pKa
2.86±0.10(Predicted)
2.7 Water Solubility
H2O: ca 1.0 g/L (20 oC)
2.8 Stability
Stable under normal temperatures and pressures.
2.9 StorageTemp
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
3. Use and Manufacturing
3.1 Definition
ChEBI: An aminonicotinic acid in which the amino group is situated at position 6 of the pyridine ring.
3.2 Purification Methods
Crystallise the acid from aqueous acetic acid. Dry it in vacuo at 70o. [Beilstein 22 III/IV 6726.] 6-Aminonicotinic acid Preparation Products And Raw materials Preparation Products
3.3 Usage
Antiproliferative
4. Safety and Handling
4.1 Hazard Codes
Xi; T
4.1 Risk Statements
R36/37/38
4.1 Safety Statements
S22;S24/25
4.1 Hazard Class
IRRITANT
4.1 Hazard Declaration
H315
4.1 RIDADR
25kgs
4.1 Caution Statement
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501
4.1 WGK Germany
3
5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H315 Causes skin irritation

H319 Causes serious eye irritation

H335 May cause respiratory irritation

Precautionary statement(s)
Prevention

none

Response

none

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

7. Other Information
7.0 Mesh Entry Terms
6-aminonicotinic acid
7.1 Manufacturing Info
3-Pyridinecarboxylic acid, 6-amino-: INACTIVE
8. Computational chemical data
  • Molecular Weight: 138.12404g/mol
  • Molecular Formula: C6H6N2O2
  • Compound Is Canonicalized: True
  • XLogP3-AA: null
  • Exact Mass: 138.042927438
  • Monoisotopic Mass: 138.042927438
  • Complexity: 138
  • Rotatable Bond Count: 1
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Topological Polar Surface Area: 76.2
  • Heavy Atom Count: 10
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count: 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Isotope Atom Count: 0
  • Covalently-Bonded Unit Count: 1
  • CACTVS Substructure Key Fingerprint: AAADcYBjMAAAAAAAAAAAAAAAAAAAAAAAAAAsAAAAAAAAAAABgAAAHgAQCAAADADBmgQ9uJJIEgCoAjL3bACCgCk1AiAI2CE4bNiIJvrAlZGEcYhm0API2eaYEQIMAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==
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10. Realated Product Infomation