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101413-49-4 | 1-Propanamine, 2-methyl-N-(2-methylpropyl)-, acetate (1:1)
CAS No: 101413-49-4 Catalog No: AG0004FC MDL No:
Product Description
Catalog Number:
AG0004FC
Chemical Name:
1-Propanamine, 2-methyl-N-(2-methylpropyl)-, acetate (1:1)
CAS Number:
101413-49-4
Molecular Formula:
C10H23NO2
Molecular Weight:
189.2951
IUPAC Name:
acetic acid;2-methyl-N-(2-methylpropyl)propan-1-amine
InChI:
InChI=1S/C8H19N.C2H4O2/c1-7(2)5-9-6-8(3)4;1-2(3)4/h7-9H,5-6H2,1-4H3;1H3,(H,3,4)
InChI Key:
TZVMZSFKELXIPF-UHFFFAOYSA-N
SMILES:
CC(CNCC(C)C)C.CC(=O)O
Properties
Complexity:
80.6
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.173g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
189.299g/mol
Monoisotopic Mass:
189.173g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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