Home Other Building Blocks 3-methyl-N-(pentan-3-yl)aniline

3-methyl-N-(pentan-3-yl)aniline

CAS No.:
1019587-47-3
Catalog Number:
AG01AXL9
Molecular Formula:
C12H19N
Molecular Weight:
177.2860
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Product Description
Catalog Number:
AG01AXL9
Chemical Name:
3-methyl-N-(pentan-3-yl)aniline
CAS Number:
1019587-47-3
Molecular Formula:
C12H19N
Molecular Weight:
177.2860
MDL Number:
MFCD11138318
IUPAC Name:
3-methyl-N-pentan-3-ylaniline
InChI:
InChI=1S/C12H19N/c1-4-11(5-2)13-12-8-6-7-10(3)9-12/h6-9,11,13H,4-5H2,1-3H3
InChI Key:
IRKDDUZXXMWFQO-UHFFFAOYSA-N
SMILES:
CCC(Nc1cccc(c1)C)CC
Properties
Complexity:
129  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.152g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
177.291g/mol
Monoisotopic Mass:
177.152g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1  
Properties