Basic information
- CAS
1192-21-8- Standard SMILES
Cn1nccc1N- InChIKey
JESRNIJXVIFVOV-UHFFFAOYSA-N- Molecular formula
- C4H7N3
- Average molar mass
- 97.12 g/mol
- Monoisotopic mass
- 97.06399724
Names & identifiers
- Preferred name
- 2-Methyl-2H-pyrazol-3-ylamine
- IUPAC
- 2-methylpyrazol-3-amine
- English name
- 1-Methyl-1H-pyrazol-5-ylamine
- Molecular formula
- C4H7N3
- Molecular weight
- 97.12
Names & synonyms
2-Methyl-2H-pyrazol-3-ylamineRefChem:475262688-112-11192-21-81-methyl-1H-pyrazol-5-amine1-methyl-1h-pyrazol-5-ylamine5-Amino-1-methylpyrazole1-Methyl-5-aminopyrazole2-methylpyrazol-3-amine1H-Pyrazol-5-amine, 1-methyl-5-amino-1-methyl-1h-pyrazoleMFCD00068156
Show more names
-5-amineNSC 76510AKOS B024266AKOS PAO-0256BUTTPARK 18\09-58ART-CHEM-BB B024266
1-methylpyrazole-5-ylamineNSC765101-Methylpyrazol-5-amine3-amino-2-methylpyrazole1-methyl-5-amino-pyrazole2-methyl pyrazole-3-amine5-amino-1-methyl-pyrazolemethyl-1H-pyrazol-5-amine
Database identifiers
- CAS
1192-21-8- PubChem CID
- 136927
- DTXSID
DTXSID80152334- EC Number
- 688-112-1
- Nikkaji
- J271.172I
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 43.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 64
Physicochemical properties
- Melting point
- 73 °C · 73 °C
- Boiling point
- 95 · 95-96°C (0.5 mmHg)
- Density
- 1.22 · 1.22±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C(protect from light)
- solubility
- Chloroform (Slightly), DMSO (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 4.16 · 4.16±0.10(Predicted)
- color
- Dark Red to Orange to Brown
- InChI
- InChI=1S/C4H7N3/c1-7-4(5)2-3-6-7/h2-3H,5H2,1H3
- InChIKey
- JESRNIJXVIFVOV-UHFFFAOYSA-N
- SMILES
- N1(C)C(N)=CC=N1
- CAS DataBase Reference
- 1192 · 1192-21-8(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
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
Danger
H301 (84.4%): Toxic if swallowed [Danger Acute toxicity, oral]；H312+H332 (84.4%): Harmful in contact with skin or if inhaled [Warning Acute toxicity, dermal; acute toxicity, inhalation]；H312 (93.3%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (93.3%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (95.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (84.4%)；Acute Tox. 4 (93.3%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；Acute Tox. 4 (93.3%)；STOT SE 3 (95.6%)
Safety data
- ridadr
- 2811
- hs_code
- 29331990
- risk_code
- 20/21/22-36/37/38-22
- Signal word
- Warning
- Symbol(GHS)
Chemistry & industry
Applications
UsesAn interesting synthetic intermediate
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
Baoji Guokang Healthchem co.,ltd+8615604608665 15604608665 · [email protected]
上海赫文斯化工有限公司15721252604 17321035817 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.
Related reactions
97 records
Compound notes
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