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1160247-18-6 | 1-Oxa-7-azaspiro[4.5]decane-7-carboxylic acid, 3-(aMinoMethyl)-, 1,1-diMethylethyl ester
CAS No: 1160247-18-6 Catalog No: AG000BF9 MDL No:MFCD12198562
Product Description
Catalog Number:
AG000BF9
Chemical Name:
1-Oxa-7-azaspiro[4.5]decane-7-carboxylic acid, 3-(aMinoMethyl)-, 1,1-diMethylethyl ester
CAS Number:
1160247-18-6
Molecular Formula:
C14H26N2O3
Molecular Weight:
270.3678
MDL Number:
MFCD12198562
IUPAC Name:
tert-butyl 3-(aminomethyl)-1-oxa-9-azaspiro[4.5]decane-9-carboxylate
InChI:
InChI=1S/C14H26N2O3/c1-13(2,3)19-12(17)16-6-4-5-14(10-16)7-11(8-15)9-18-14/h11H,4-10,15H2,1-3H3
InChI Key:
CYIJGWKOFZHWLD-UHFFFAOYSA-N
SMILES:
NCC1COC2(C1)CCCN(C2)C(=O)OC(C)(C)C
Properties
Complexity:
340
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.194g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
270.373g/mol
Monoisotopic Mass:
270.194g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
64.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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