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159603-47-1 | Carbamic acid, [(3-methyl-3-azetidinyl)methyl]-, 1,1-dimethylethyl ester (9CI)
CAS No: 159603-47-1 Catalog No: AG001R7O MDL No:MFCD11847933
Product Description
Catalog Number:
AG001R7O
Chemical Name:
Carbamic acid, [(3-methyl-3-azetidinyl)methyl]-, 1,1-dimethylethyl ester (9CI)
CAS Number:
159603-47-1
Molecular Formula:
C10H20N2O2
Molecular Weight:
200.2780
MDL Number:
MFCD11847933
IUPAC Name:
tert-butyl N-[(3-methylazetidin-3-yl)methyl]carbamate
InChI:
InChI=1S/C10H20N2O2/c1-9(2,3)14-8(13)12-7-10(4)5-11-6-10/h11H,5-7H2,1-4H3,(H,12,13)
InChI Key:
APVXPWQROCCVQJ-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NCC1(C)CNC1
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.152g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
200.282g/mol
Monoisotopic Mass:
200.152g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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