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1392804-77-1 | 1-Azetidinecarboxylic acid, 3-(aminomethyl)-3-methoxy-, 1,1-dimethylethyl ester
CAS No: 1392804-77-1 Catalog No: AG001AO4 MDL No:MFCD23106148
Product Description
Catalog Number:
AG001AO4
Chemical Name:
1-Azetidinecarboxylic acid, 3-(aminomethyl)-3-methoxy-, 1,1-dimethylethyl ester
CAS Number:
1392804-77-1
Molecular Formula:
C10H20N2O3
Molecular Weight:
216.2774
MDL Number:
MFCD23106148
IUPAC Name:
tert-butyl 3-(aminomethyl)-3-methoxyazetidine-1-carboxylate
InChI:
InChI=1S/C10H20N2O3/c1-9(2,3)15-8(13)12-6-10(5-11,7-12)14-4/h5-7,11H2,1-4H3
InChI Key:
WFBNSXNNEABLBC-UHFFFAOYSA-N
SMILES:
COC1(CN)CN(C1)C(=O)OC(C)(C)C
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.147g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
216.281g/mol
Monoisotopic Mass:
216.147g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
64.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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