Home Other Building Blocks (1-butyl-3-methyl-1H-pyrazol-4-yl)methanamine

(1-butyl-3-methyl-1H-pyrazol-4-yl)methanamine

CAS No.:
1343506-85-3
Catalog Number:
AG01A3RJ
Molecular Formula:
C9H17N3
Molecular Weight:
167.2514
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Product Description
Catalog Number:
AG01A3RJ
Chemical Name:
(1-butyl-3-methyl-1H-pyrazol-4-yl)methanamine
CAS Number:
1343506-85-3
Molecular Formula:
C9H17N3
Molecular Weight:
167.2514
MDL Number:
MFCD20311000
IUPAC Name:
(1-butyl-3-methylpyrazol-4-yl)methanamine
InChI:
InChI=1S/C9H17N3/c1-3-4-5-12-7-9(6-10)8(2)11-12/h7H,3-6,10H2,1-2H3
InChI Key:
WERXCMXLYRJFJM-UHFFFAOYSA-N
SMILES:
CCCCn1cc(c(n1)C)CN
Properties
Complexity:
127  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.142g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
167.256g/mol
Monoisotopic Mass:
167.142g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
43.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Properties