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2055839-99-9 | 1-Azetidinecarboxylic acid, 3-amino-3-(aminocarbonyl)-, 1,1-dimethylethyl ester, hydrochloride (1:1)
CAS No: 2055839-99-9 Catalog No: AG002A7E MDL No:
Product Description
Catalog Number:
AG002A7E
Chemical Name:
1-Azetidinecarboxylic acid, 3-amino-3-(aminocarbonyl)-, 1,1-dimethylethyl ester, hydrochloride (1:1)
CAS Number:
2055839-99-9
Molecular Formula:
C9H18ClN3O3
Molecular Weight:
251.7105
IUPAC Name:
tert-butyl 3-amino-3-carbamoylazetidine-1-carboxylate;hydrochloride
InChI:
InChI=1S/C9H17N3O3.ClH/c1-8(2,3)15-7(14)12-4-9(11,5-12)6(10)13;/h4-5,11H2,1-3H3,(H2,10,13);1H
InChI Key:
SSXQKHPHJTUIOP-UHFFFAOYSA-N
SMILES:
O=C(N1CC(C1)(N)C(=O)N)OC(C)(C)C.Cl
Properties
Complexity:
290
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.104g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
251.711g/mol
Monoisotopic Mass:
251.104g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
98.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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