4-Methylpyridine-2,3-diamine

HCID 317495

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Basic information

CAS: 53929-59-2
Standard SMILES: Cc1ccnc(N)c1N
InChIKey: RWGGFJXJRPCCGD-UHFFFAOYSA-N
Molecular formula: C6H9N3
Average molar mass: 123.16 g/mol
Monoisotopic mass: 123.07964729

Names & identifiers

Preferred name: 4-Methylpyridine-2,3-diamine
IUPAC: 4-methylpyridine-2,3-diamine
English name: 4-Methyl-pyridine-2,3-diamine
Molecular formula: C6H9N3
Molecular weight: 123.16

Names & synonyms

4-methylpyridine-2,3-diamineDTXSID20312076RefChem:525698DTXCID10263200825-015-753929-59-22,3-Diamino-4-picoline4-methyl-2,3-diaminopyridine4-Methyl-pyridine-2,3-diamineMFCD002099672,3-DIAMINO-4-METHYLPYRIDINECHEMBL61427

Show more names

NSC 2493232,3-PyridinediaMine, 4-Methyl-4-methyl-2,3-pyridinediamine(SALTDATA: FREE)4-METHYL-PYRIDINE-2,3-DIAMINE ISO 9001：2015 REACH

NSC249323SCHEMBL1502884BDBM50091791AMY4008SCHEMBL29507149EBC-03205SBB0518674-METHYL-2,3-PYRIDINEDIAMINE

Database identifiers

CAS: 53929-59-2
PubChem CID: 317495
DTXSID: DTXSID20312076
ChEMBL: CHEMBL61427
EC Number: 825-015-7
Nikkaji: J1.385.272C

Properties

Computed structural properties

XLogP: 0.2
Topological polar surface area: 64.9 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 9
Formal charge: 0
Complexity: 94.3

Physicochemical properties

Melting point: 115 · 115-116℃
Boiling point: 317.8 · 317.8±37.0 °C(Predicted)
Density: 1.19 · 1.190±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
pka: 7.35 · 7.35±0.47(Predicted)
Appearance: Light brown to brown Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.