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139408-45-0 | Carbamic acid, (5-aminopentyl)-, 2,2,2-trichloroethyl ester (9CI)
CAS No: 139408-45-0 Catalog No: AG001AYI MDL No:
Product Description
Catalog Number:
AG001AYI
Chemical Name:
Carbamic acid, (5-aminopentyl)-, 2,2,2-trichloroethyl ester (9CI)
CAS Number:
139408-45-0
Molecular Formula:
C8H15Cl3N2O2
Molecular Weight:
277.5759
IUPAC Name:
2,2,2-trichloroethyl N-(5-aminopentyl)carbamate
InChI:
InChI=1S/C8H15Cl3N2O2/c9-8(10,11)6-15-7(14)13-5-3-1-2-4-12/h1-6,12H2,(H,13,14)
InChI Key:
HUUFYUAYDCSKSR-UHFFFAOYSA-N
SMILES:
NCCCCCNC(=O)OCC(Cl)(Cl)Cl
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.02g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
277.57g/mol
Monoisotopic Mass:
276.02g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
64.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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