Basic information
- CAS
33259-72-2- Standard SMILES
Cc1ccc(N)c(N)n1- InChIKey
XATOCNYGIWXIQM-UHFFFAOYSA-N- Molecular formula
- C6H9N3
- Average molar mass
- 123.16 g/mol
- Monoisotopic mass
- 123.07964729
Names & identifiers
- Preferred name
- 6-Methylpyridine-2,3-diamine
- IUPAC
- 6-methylpyridine-2,3-diamine
- English name
- 5,6-Diamino-2-picoline,
- Molecular formula
- C6H9N3
- Molecular weight
- 123.16
Names & synonyms
6-methylpyridine-2,3-diamine33259-72-2DTXSID40370299RefChem:309116DTXCID70321335820-604-52,3-Diamino-6-methylpyridine2,3-PYRIDINEDIAMINE, 6-METHYL-MFCD034276546-METHYL-2,3-PYRIDINEDIAMINE5,6-Diamino-2-picoline6-METHYLPYRIDINE-2,3-DIAMINE 2HCL
Show more names
SCHEMBL3615012,3-diamino-6-methyl pyridine6-Methyl-pyridine-2,3-diamineSCHEMBL29599682XATOCNYGIWXIQM-UHFFFAOYSA-NIBA25972SBB069798AKOS002676251
Database identifiers
- CAS
33259-72-2- PubChem CID
- 2734420
- DTXSID
DTXSID40370299- EC Number
- 820-604-5
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 64.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 94.3
Physicochemical properties
- Melting point
- 69 · 69-70℃
- Boiling point
- 295 ℃ · 295℃
- Density
- 1.19 · 1.190
- refractive index
- 1.469 · 1.4690 (estimate)
- Flash point
- 157 ℃ · 157℃
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- pka
- 6.88 · 6.88±0.50(Predicted)
- Appearance
- Brown to dark brown Solid
- InChI
- InChI=1S/C6H9N3/c1-4-2-3-5(7)6(8)9-4/h2-3H,7H2,1H3,(H2,8,9)
- InChIKey
- XATOCNYGIWXIQM-UHFFFAOYSA-N
- SMILES
- C1(N)=NC(C)=CC=C1N
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
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.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Chemistry & industry
Suppliers53 total
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
环生美森医药技术（山东）有限公司0531-88762217 18301471076 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
淮安嘉目生物科技有限公司0517-83187139 18205232085 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
苏州施亚生物科技有限公司17715136450 · [email protected]
上海景颜化工科技有限公司13817811078 · [email protected]
嘉兴市艾森化工有限公司0573-85285100 18627885956 · [email protected]
济南精合医药科技有限公司0531-88811783 · [email protected]
上海博氏医药科技有限公司021-34975602; +8618721111801 · [email protected]
蚌埠市纳科化学有限公司0552-3068102 13966060073 · [email protected]
上海健超生物科技有限公司150-2103-5486 18017383231 · [email protected]
Related reactions
11 records
Compound notes
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