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1018443-01-0 | Carbamic acid, N-(3-methyl-3-azetidinyl)-, 1,1-dimethylethyl ester
CAS No: 1018443-01-0 Catalog No: AG0005PI MDL No:MFCD11974378
Product Description
Catalog Number:
AG0005PI
Chemical Name:
Carbamic acid, N-(3-methyl-3-azetidinyl)-, 1,1-dimethylethyl ester
CAS Number:
1018443-01-0
Molecular Formula:
C9H18N2O2
Molecular Weight:
186.2514
MDL Number:
MFCD11974378
IUPAC Name:
tert-butyl N-(3-methylazetidin-3-yl)carbamate
InChI:
InChI=1S/C9H18N2O2/c1-8(2,3)13-7(12)11-9(4)5-10-6-9/h10H,5-6H2,1-4H3,(H,11,12)
InChI Key:
BFHSUIWEPMCBQR-UHFFFAOYSA-N
SMILES:
O=C(NC1(C)CNC1)OC(C)(C)C
Properties
Complexity:
204
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.137g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
186.255g/mol
Monoisotopic Mass:
186.137g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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