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Home> Hot Product Listed S   > SCHEMBL4711447
3167-49-5 structure

SCHEMBL4711447

Iupac Name:6-aminopyridine-3-carboxylic acid
CAS No.:3167-49-5
Molecular Weight:138.12404
Molecular Formula:C13H14FNO2 (isomer)
Names and Identifiers
Synonyms

1,5-methano-1h-3-benzazepine-6,8-diamine, 2,3,4,5-tetrahydro-

Inchi
InChI=1/C6H6N2O2/c7-5-2-1-4(3-8-5)6(9)10/h1-3H,(H2,7,8)(H,9,10)
InChkey
ZCIFWRHIEBXBOY-UHFFFAOYSA-N
Canonical Smiles
C1=CC(=NC=C1C(=O)O)N
Properties
Melting Point
300℃
Refractive Index
1.649
Safety and Handling
Risk Statements
R36/37/38
Safety Statements
S22;S24/25
Transport
25kgs
Reach Info
Globally, no enterprise has officially registered the substance REACH.
Other official information: ·ECHA Information Page for CAS: 3167-49-5 EC: SCHEMBL4711447 ·ECHA C&L Inventory for CAS: CAS: 3167-49-5 EC: SCHEMBL4711447
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

Computational chemical data
  • Molecular Weight:138.12404g/mol
  • Molecular Formula:C13H14FNO2
  • XLogP3-AA:1.4
  • Exact Mass:138.042927
  • Monoisotopic Mass:138.042927
  • Complexity:138
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:3
  • 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
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Recommended Suppliers
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  • Fax:0086-27-59524646
  • Tel:+86-0592-5567629
  • Fax:+86-0592-5567629
  • Tel:86-571-85829152
  • Fax:86-571-85829153
  • Tel:86-371-86658258
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