6-Methoxypyridazin-3-amine

HCID 81673
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Substructure searchFind similar structures

Basic information

CAS
7252-84-8
Standard SMILES
COc1ccc(N)nn1
InChIKey
YPWBPONDYDVMLX-UHFFFAOYSA-N
Molecular formula
C5H7N3O
Average molar mass
125.13 g/mol
Monoisotopic mass
125.05891186

Names & identifiers

Preferred name
6-Methoxypyridazin-3-amine
IUPAC
6-methoxypyridazin-3-amine
English name
3-Amino-6-methoxypyridazine
Molecular formula
C5H7N3O
Molecular weight
125.13

Names & synonyms

6-Methoxypyridazin-3-amine3-Pyridazinamine, 6-methoxy-6-methoxy-3-pyridazinamineN3H9A46C5HNSC-73703DTXSID002228463-METHOXY-6-AMINOPYRIDAZINEEINECS 230-670-1NSC 73703PYRIDAZINE, 3-AMINO-6-METHOXY-RefChem:543726DTXCID30145337
Show more names
6-Amino-3-methoxypyridazineEOS-62222Netarsudil Impurity 12
230-670-13-Amino-6-methoxypyridazine7252-84-8MFCD01646127NSC737036-METHOXY-PYRIDAZIN-3-YLAMINEPB232433-Pyridazinamine,6-methoxy-

Database identifiers

CAS
7252-84-8
PubChem CID
81673
DTXSID
DTXSID00222846
UNII
N3H9A46C5H
EC Number
230-670-1
Nikkaji
J212.265K

Properties

Computed structural properties

XLogP
-0.4
Topological polar surface area
61 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
1
Heavy atoms
9

Physicochemical properties

Melting point
108 · 108-109℃
Boiling point
353.5 · 353.5±22.0 °C(Predicted)
Density
1.224 · 1.224
storage temp.
2 · 2-8°C(protect from light)
form
Solid
pka
5.84 · 5.84±0.10(Predicted)

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (40%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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)

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.；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. 4 (40%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)

Safety data

hs_code
2933998090
risk_code
22
Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
Xi,Xn
Hazard statements
H315-H319-H335

Chemistry & industry

Applications · 2 items

Description3-amino-6-methoxypyridazine: a critical pharmaceutical intermediate.It can be used for pyridopyrimidine compounds with remarkable biological activity or medicines, such as the anticancer drug Ruugeli, which can be used for treating indications such as pain caused by endometriosis, uterine fibroids and advanced prostate cancer. At present, many reports on the preparation method of the compound exist, and various process impurities such as 3-amino-6-chloropyridazine, 3-amino-6-hydroxypyridazine, 3-chloro-6-hydroxypyridazine, 3-dichloropyridazine, 3, 6-dimethoxypyridazine, 3-amino-6-methoxypyridazine, 3-aminopyridazine and the like are often introduced in the process of the conventional synthesis process.

Uses3-Amino-6-methoxypyridazine is an organic reagent that can be used as a key intermediate in the preparation of Relugoli.

Upstream & downstream products

Suppliers100 total

杭州创引化工科技有限公司0571-87086220 13516718938 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
成都伊诺达博医药科技有限公司028-85929779 18881048017
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

Related reactions

17 records
New reaction record

Compound notes

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