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1368087-42-6 | 1-Azetidinecarboxylic acid, 3-amino-2-methyl-, 1,1-dimethylethyl ester
CAS No: 1368087-42-6 Catalog No: AG0012DW MDL No:MFCD22063368
Product Description
Catalog Number:
AG0012DW
Chemical Name:
1-Azetidinecarboxylic acid, 3-amino-2-methyl-, 1,1-dimethylethyl ester
CAS Number:
1368087-42-6
Molecular Formula:
C9H18N2O2
Molecular Weight:
186.2514
MDL Number:
MFCD22063368
IUPAC Name:
tert-butyl 3-amino-2-methylazetidine-1-carboxylate
InChI:
InChI=1S/C9H18N2O2/c1-6-7(10)5-11(6)8(12)13-9(2,3)4/h6-7H,5,10H2,1-4H3
InChI Key:
KMNTYEYDNBONGP-UHFFFAOYSA-N
SMILES:
CC1C(N)CN1C(=O)OC(C)(C)C
Properties
Complexity:
210
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:
1
Isotope Atom Count:
0
Molecular Weight:
186.255g/mol
Monoisotopic Mass:
186.137g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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