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113984-38-6 | Carbamimidic acid, N,N'-bis(1-methylethyl)-, 2-butyn-1-yl ester
CAS No: 113984-38-6 Catalog No: AG000A8C MDL No:
Product Description
Catalog Number:
AG000A8C
Chemical Name:
Carbamimidic acid, N,N'-bis(1-methylethyl)-, 2-butyn-1-yl ester
CAS Number:
113984-38-6
Molecular Formula:
C11H20N2O
Molecular Weight:
196.2893
IUPAC Name:
but-2-ynyl N,N'-di(propan-2-yl)carbamimidate
InChI:
InChI=1S/C11H20N2O/c1-6-7-8-14-11(12-9(2)3)13-10(4)5/h9-10H,8H2,1-5H3,(H,12,13)
InChI Key:
PYNSJQKKUYWIDP-UHFFFAOYSA-N
SMILES:
CC#CCOC(=NC(C)C)NC(C)C
Properties
Complexity:
243
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.158g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
196.294g/mol
Monoisotopic Mass:
196.158g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
33.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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