Basic information
- CAS
151521-49-2- Standard SMILES
CC(C)c1cn[nH]c1N- InChIKey
UQTLFNBARWAWIS-UHFFFAOYSA-N- Molecular formula
- C6H11N3
- Average molar mass
- 125.17 g/mol
- Monoisotopic mass
- 125.09529736
Names & identifiers
- Preferred name
- 4-isopropyl-1H-pyrazol-5-amine
- IUPAC
- 4-propan-2-yl-1H-pyrazol-5-amine
- English name
- 4-Isopropyl-1H-pyrazol-3-amine
- Molecular formula
- C6H11N3
- Molecular weight
- 125.17
Names & synonyms
151521-49-24-isopropyl-1H-pyrazol-5-amine4-ISOPROPYL-1H-PYRAZOL-3-AMINE1H-Pyrazol-3-amine, 4-(1-methylethyl)-4-(propan-2-yl)-1H-pyrazol-3-amine4-propan-2-yl-1H-pyrazol-5-amineMFCD11112127MFCD118472373-amino-4-isopropylpyrazole4-(Propan-2-yl)-1H-pyrazol-5-amine3-amino-4-isopropyl-pyrazoleDTXSID80597266
Show more names
3-Amino-4-isopropyl pyrazole4-ISOPROPYL-2H-PYRAZOL-3-AMINE4-ISO-PROPYL-1H-PYRAZOL-5-AMINE3-Amino-4-isopropyl-1H-pyrazole4-(1-Methylethyl)-1H-pyrazol-3-amine4-(Propan-2-yl)-1H-pyrazol-3-amine 95%
4-lsopropyl-1H-pyrazol-3-ylamineAS-41809SY069100EN300-1361884-Isopropyl-1H-pyrazol-3-ylamine4-Isopropyl-2H-pyrazol-3-ylamineFT-0687719A851395
Database identifiers
- CAS
151521-49-2- PubChem CID
- 19002201
- DTXSID
DTXSID80597266- EC Number
- 812-196-2
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 54.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 92.3
Physicochemical properties
- Boiling point
- 295.8 · 295.8±20.0 °C(Predicted)
- Density
- 1.104 · 1.104
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- pka
- 16.12 · 16.12±0.50(Predicted)
- form
- solid
- color
- Golden brown
- InChI
- InChI=1S/C6H11N3/c1-4(2)5-3-8-9-6(5)7/h3-4H,1-2H3,(H3,7,8,9)
- InChIKey
- UQTLFNBARWAWIS-UHFFFAOYSA-N
- SMILES
- N1C=C(C(C)C)C(N)=N1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- HS Code
- 2933199090 · 2933199090
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
H302+H332 (20%): Harmful if swallowed or if inhaled [Warning Acute toxicity, oral; acute toxicity, inhalation]
P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 5 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (60%)
Safety data
- hs_code
- 2933199090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers100 total
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
湖北威德利化学试剂有限公司186-02735115 18062128043 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
北京炎礼生物科技有限公司18600731423 · [email protected]
上海钰源生物化学有限公司021-13814116 13814116708 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
韶远科技（上海）有限公司4000665055 · [email protected]
Related reactions
4 records
Compound notes
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