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7615-84-1 | N-(PROP-2-YNYL)-N,1,5-TRIMETHYLHEXYLAMINE
CAS No: 7615-84-1 Catalog No: AG0057N7 MDL No:
Product Description
Catalog Number:
AG0057N7
Chemical Name:
N-(PROP-2-YNYL)-N,1,5-TRIMETHYLHEXYLAMINE
CAS Number:
7615-84-1
Molecular Formula:
C12H23N
Molecular Weight:
181.3177
IUPAC Name:
N,6-dimethyl-N-prop-2-ynylheptan-2-amine
InChI:
InChI=1S/C12H23N/c1-6-10-13(5)12(4)9-7-8-11(2)3/h1,11-12H,7-10H2,2-5H3
InChI Key:
CSWKXYFXOIHLGP-UHFFFAOYSA-N
SMILES:
C#CCN(C(CCCC(C)C)C)C
Properties
Complexity:
163
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.183g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
181.323g/mol
Monoisotopic Mass:
181.183g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
3.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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