Basic information
- CAS
1156601-73-8- Standard SMILES
Nc1cnn(-c2ncccn2)c1- InChIKey
YQMXNLJSYFTVOF-UHFFFAOYSA-N- Molecular formula
- C7H7N5
- Average molar mass
- 161.16 g/mol
- Monoisotopic mass
- 161.07014524
Names & identifiers
- Preferred name
- 1-(pyrimidin-2-yl)-1H-pyrazol-4-amine
- IUPAC
- 1-pyrimidin-2-ylpyrazol-4-amine
- English name
- 1-(pyrimidin-2-yl)-1H-pyrazol-4-amine
- Molecular formula
- C7H7N5
- Molecular weight
- 161.16
Names & synonyms
1-(pyrimidin-2-yl)-1H-pyrazol-4-amine1156601-73-8RefChem:428606850-553-41-pyrimidin-2-ylpyrazol-4-amineMFCD121927411H-Pyrazol-4-amine, 1-(2-pyrimidinyl)-4-Amino-1-(2-pyrimidinyl)pyrazole1-(2-pyrimidinyl)-1H-Pyrazol-4-amineSCHEMBL17076806GWB60173CS1599
Show more names
AKOS009582190AS-9987AC-31839DA-31325SY197521CS-0209298EN300-825191-(Pyrimidin-2-yl)-1H-pyrazol-4-amine 96%
Database identifiers
- CAS
1156601-73-8- PubChem CID
- 43531925
- EC Number
- 850-553-4
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 69.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 145
Physicochemical properties
- Boiling point
- 445.6 · 445.6±37.0 °C(Predicted)
- Density
- 1.46 · 1.46±0.1 g/cm3(Predicted)
- pka
- 2.53 · 2.53±0.15(Predicted)
- 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
- HS Code
- 2933399990 · 2933399990
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
- hs_code
- 2933399990
- 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
Suppliers22 total
韶远科技(上海)有限公司4000665055 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
苏州启航生物科技有限公司18151111370
广州康瑞泰药业有限公司020-82185713,82185709 13418171485 · [email protected]
杭州噻伏新材料科技有限公司0571-86113725 15372021306 · [email protected]
菏泽博揽生物医药科技有限公司17686525805 17686525805 · [email protected]
上海超岚化工科技中心（原宁波市超明生物科技有限公司）13301662590 · [email protected]
江西弗莱医药科技有限公司15870833005 · [email protected]
上海药禾平生物医药科技有限公司57540919 13120888836 · [email protected]
南京世洲生物科技有限公司025-85563444 18351873721 · [email protected]
常州合晶化工有限公司85528066 13775048983 · [email protected]
上海书亚医药科技有限公司400-685-9117 · [email protected]
上海特伯化学科技有限公司021-58170097 · [email protected]
四川铂友生物科技有限公司（原四川佰朋）028-65791793 18140026355 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…