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116272-84-5 | Azetidine, 1-(1-butyn-1-yl)-3,3-dimethyl-
CAS No: 116272-84-5 Catalog No: AG000C3I MDL No:
Product Description
Catalog Number:
AG000C3I
Chemical Name:
Azetidine, 1-(1-butyn-1-yl)-3,3-dimethyl-
CAS Number:
116272-84-5
Molecular Formula:
C9H15N
Molecular Weight:
137.2221
IUPAC Name:
1-but-1-ynyl-3,3-dimethylazetidine
InChI:
InChI=1S/C9H15N/c1-4-5-6-10-7-9(2,3)8-10/h4,7-8H2,1-3H3
InChI Key:
SSUTUSZXCZMELE-UHFFFAOYSA-N
SMILES:
CCC#CN1CC(C1)(C)C
Properties
Complexity:
171
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
137.12g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
137.226g/mol
Monoisotopic Mass:
137.12g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
3.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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