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76387-44-5

76387-44-5 | 1-Triazene, 1,3-dibutyl-3-methyl-

CAS No: 76387-44-5 Catalog No: AG005CC3 MDL No:

Product Description

Catalog Number:
AG005CC3
Chemical Name:
1-Triazene, 1,3-dibutyl-3-methyl-
CAS Number:
76387-44-5
Molecular Formula:
C9H21N3
Molecular Weight:
171.2831
IUPAC Name:
N-(butyldiazenyl)-N-methylbutan-1-amine
InChI:
InChI=1S/C9H21N3/c1-4-6-8-10-11-12(3)9-7-5-2/h4-9H2,1-3H3
InChI Key:
MRBZRTBBWRICTA-UHFFFAOYSA-N
SMILES:
CCCCN=NN(CCCC)C
NSC Number:
337852

Properties

Complexity:
112  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.174g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
171.288g/mol
Monoisotopic Mass:
171.174g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
28A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  

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