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1013938-10-7 | Carbamic acid, N-[1-(aminomethyl)-2-(tetrahydro-2H-pyran-3-yl)ethyl]-, 1,1-dimethylethyl ester
CAS No: 1013938-10-7 Catalog No: AG0004D4 MDL No:
Product Description
Catalog Number:
AG0004D4
Chemical Name:
Carbamic acid, N-[1-(aminomethyl)-2-(tetrahydro-2H-pyran-3-yl)ethyl]-, 1,1-dimethylethyl ester
CAS Number:
1013938-10-7
Molecular Formula:
C13H26N2O3
Molecular Weight:
258.3571
IUPAC Name:
tert-butyl N-[1-amino-3-(oxan-3-yl)propan-2-yl]carbamate
InChI:
InChI=1S/C13H26N2O3/c1-13(2,3)18-12(16)15-11(8-14)7-10-5-4-6-17-9-10/h10-11H,4-9,14H2,1-3H3,(H,15,16)
InChI Key:
VGDTYMGMGAROSF-UHFFFAOYSA-N
SMILES:
NCC(NC(=O)OC(C)(C)C)CC1CCCOC1
Properties
Complexity:
264
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.194g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
258.362g/mol
Monoisotopic Mass:
258.194g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
73.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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