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1007873-90-6 | 1-Azetidinecarboxylic acid, 2-(aminomethyl)-, 1,1-dimethylethyl ester, (2S)-
CAS No: 1007873-90-6 Catalog No: AG0002VU MDL No:MFCD17215571
Product Description
Catalog Number:
AG0002VU
Chemical Name:
1-Azetidinecarboxylic acid, 2-(aminomethyl)-, 1,1-dimethylethyl ester, (2S)-
CAS Number:
1007873-90-6
Molecular Formula:
C9H18N2O2
Molecular Weight:
186.2514
MDL Number:
MFCD17215571
IUPAC Name:
tert-butyl (2S)-2-(aminomethyl)azetidine-1-carboxylate
InChI:
InChI=1S/C9H18N2O2/c1-9(2,3)13-8(12)11-5-4-7(11)6-10/h7H,4-6,10H2,1-3H3/t7-/m0/s1
InChI Key:
XTIGSUFOTRCYOO-ZETCQYMHSA-N
SMILES:
NC[C@@H]1CCN1C(=O)OC(C)(C)C
Properties
Complexity:
198
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
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:
3
Topological Polar Surface Area:
55.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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