Home Other Building Blocks 1007517-63-6
1007517-63-6,MFCD08701090
Catalog No.:AA0002Q4
1007517-63-6 | 3-(1H-Pyrazol-1-yl)butan-1-ol
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Purity
Availability
Price(USD)
Quantity
  
1g
95%
in stock  
$74.00   $52.00
- +
5g
95%
in stock  
$212.00   $148.00
- +
  • Technical Information
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  • Technical Information
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Technical Information
Catalog Number:
AA0002Q4
Chemical Name:
3-(1H-Pyrazol-1-yl)butan-1-ol
CAS Number:
1007517-63-6
Molecular Formula:
C7H12N2O
Molecular Weight:
140.1830
MDL Number:
MFCD08701090
IUPAC Name:
3-pyrazol-1-ylbutan-1-ol
InChI:
InChI=1S/C7H12N2O/c1-7(3-6-10)9-5-2-4-8-9/h2,4-5,7,10H,3,6H2,1H3
InChI Key:
ZTISHUJSCJXXRX-UHFFFAOYSA-N
SMILES:
OCCC(n1cccn1)C
Properties
Computed Properties
 
Complexity:
97.6  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
140.095g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
140.186g/mol
Monoisotopic Mass:
140.095g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
38A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2  

Synonyms
 
3-(1H-pyrazol-1-yl)butan-1-ol 
1007517-63-6 
ZX-AN004062 
ZX-CM006594 
7252AC 
FCH862945 
MFCD08701090 
SBB046546 
STK502912 
AKOS002656995 
AKOS016342149 
MCULE-2074980335 
3-(1H-pyrazol-1-yl)-1-butanol 
1H-Pyrazole-1-propanol, gamma-methyl- 
BB 0240806 
FT-0678956 
3-(1H-Pyrazol-1-yl)-1-butanol, AldrichCPR 
Y-4662 
I14-25622 
C7H12N2O 
3-pyrazolylbutan-1-ol 
3-Pyrazol-1-yl-butan-1-ol 
3-(pyrazol-1-yl)butan-1-ol 
SCHEMBL14637671 
CTK3J9213 
DTXSID60629695 
ALBB-004092 
Literature
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