51859-80-4
3-AMINO-1-(2-METHYLBENZYL)-1H-PYRAZOL-5(4H)-ONE
Name
3-AMINO-1-(2-METHYLBENZYL)-1H-PYRAZOL-5(4H)-ONE
Formula
C11 H13 N3 O
MolWeight
203.244
1Identification
【Name】
3-AMINO-1-(2-METHYLBENZYL)-1H-PYRAZOL-5(4H)-ONE
【CAS】
【MDL】
MFCD20228848
【English Synonyms】
【Formula】
C11 H13 N3 O
【MolWeight】
203.244
【Inchi】
InChI=1S/C11H13N3O/c1-8-4-2-3-5-9(8)7-14-11(15)6-10(12)13-14/h2-5H,6-7H2,1H3,(H2,12,13)
【InChIKey】
InChIKey=PWBQMZHVVHCSTC-UHFFFAOYSA-N
【SMILES】
Cc1ccccc1CN2C(=O)CC(=N2)N
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-AMINO-1-(2-METHYLBENZYL)-1H-PYRAZOL-5(4H)-ONE.cml
Quick Release
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Aroma Circle Corp.
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Catalog No:AC13649 1G
Country/Region:United States
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Catalog No:AC13649 5G
Catalog No:AC13649 1G
Country/Region:United States
Business Type:Others
http://www.aromacircle.com
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