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1193386-50-3 | Carbamic acid, N-[2-(3-azetidinylmethylamino)ethyl]-, 1,1-dimethylethyl ester
CAS No: 1193386-50-3 Catalog No: AG000IM1 MDL No:
Product Description
Catalog Number:
AG000IM1
Chemical Name:
Carbamic acid, N-[2-(3-azetidinylmethylamino)ethyl]-, 1,1-dimethylethyl ester
CAS Number:
1193386-50-3
Molecular Formula:
C11H23N3O2
Molecular Weight:
229.3192
IUPAC Name:
tert-butyl N-[2-[azetidin-3-yl(methyl)amino]ethyl]carbamate
InChI:
InChI=1S/C11H23N3O2/c1-11(2,3)16-10(15)13-5-6-14(4)9-7-12-8-9/h9,12H,5-8H2,1-4H3,(H,13,15)
InChI Key:
WOSDNQZCSFJFNY-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NCCNCC1CNC1
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.179g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
229.324g/mol
Monoisotopic Mass:
229.179g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
53.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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