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Home > Other Heterocycles > 1630906-42-1
1630906-42-1 | Carbamic acid, N-6-azaspiro[3.4]oct-2-yl-, 1,1-dimethylethyl ester, hydrochloride (1:1)
CAS No: 1630906-42-1 Catalog No: AG001TP9 MDL No:MFCD27987993
Product Description
Catalog Number:
AG001TP9
Chemical Name:
Carbamic acid, N-6-azaspiro[3.4]oct-2-yl-, 1,1-dimethylethyl ester, hydrochloride (1:1)
CAS Number:
1630906-42-1
Molecular Formula:
C12H23ClN2O2
Molecular Weight:
262.7762
MDL Number:
MFCD27987993
IUPAC Name:
tert-butyl N-(6-azaspiro[3.4]octan-2-yl)carbamate;hydrochloride
InChI:
InChI=1S/C12H22N2O2.ClH/c1-11(2,3)16-10(15)14-9-6-12(7-9)4-5-13-8-12;/h9,13H,4-8H2,1-3H3,(H,14,15);1H
InChI Key:
KCDDNRUYCRZASL-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NC1CC2(C1)CNCC2.Cl
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.145g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
262.778g/mol
Monoisotopic Mass:
262.145g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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