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124744-14-5 | 2-Butyn-1-amine, 4,4-diethoxy-
CAS No: 124744-14-5 Catalog No: AG000MOV MDL No:
Product Description
Catalog Number:
AG000MOV
Chemical Name:
2-Butyn-1-amine, 4,4-diethoxy-
CAS Number:
124744-14-5
Molecular Formula:
C8H15NO2
Molecular Weight:
157.2102
IUPAC Name:
4,4-diethoxybut-2-yn-1-amine
InChI:
InChI=1S/C8H15NO2/c1-3-10-8(11-4-2)6-5-7-9/h8H,3-4,7,9H2,1-2H3
InChI Key:
CBRSHCWJDOGNRC-UHFFFAOYSA-N
SMILES:
CCOC(C#CCN)OCC
Properties
Complexity:
139
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
157.11g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
157.213g/mol
Monoisotopic Mass:
157.11g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
44.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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