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883516-21-0 | 1-Butanamine,2-(3-butyn-1-yloxy)-3-methyl-
CAS No: 883516-21-0 Catalog No: AG0045DT MDL No:
Product Description
Catalog Number:
AG0045DT
Chemical Name:
1-Butanamine,2-(3-butyn-1-yloxy)-3-methyl-
CAS Number:
883516-21-0
Molecular Formula:
C9H17NO
Molecular Weight:
155.2374
IUPAC Name:
2-but-3-ynoxy-3-methylbutan-1-amine
InChI:
InChI=1S/C9H17NO/c1-4-5-6-11-9(7-10)8(2)3/h1,8-9H,5-7,10H2,2-3H3
InChI Key:
JSKOQMMTJDMQKV-UHFFFAOYSA-N
SMILES:
NCC(C(C)C)OCCC#C
Properties
Complexity:
134
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
155.131g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
155.241g/mol
Monoisotopic Mass:
155.131g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
35.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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