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114649-24-0 | Carbamic acid, (1-methoxyheptyl)(1-methylethyl)-, ethyl ester (9CI)
CAS No: 114649-24-0 Catalog No: AG000EY9 MDL No:
Product Description
Catalog Number:
AG000EY9
Chemical Name:
Carbamic acid, (1-methoxyheptyl)(1-methylethyl)-, ethyl ester (9CI)
CAS Number:
114649-24-0
Molecular Formula:
C14H29NO3
Molecular Weight:
259.3850
IUPAC Name:
ethyl N-(1-methoxyheptyl)-N-propan-2-ylcarbamate
InChI:
InChI=1S/C14H29NO3/c1-6-8-9-10-11-13(17-5)15(12(3)4)14(16)18-7-2/h12-13H,6-11H2,1-5H3
InChI Key:
IIQJCPIUHMGMJQ-UHFFFAOYSA-N
SMILES:
CCCCCCC(N(C(=O)OCC)C(C)C)OC
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.215g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
259.39g/mol
Monoisotopic Mass:
259.215g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
38.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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