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120131-72-8 | Carbamic acid, N-(2-aminoethyl)-N-[2-[[(1,1-dimethylethoxy)carbonyl]amino]ethyl]-, 1,1-dimethylethyl ester
CAS No: 120131-72-8 Catalog No: AG000QDN MDL No:MFCD06656457
Product Description
Catalog Number:
AG000QDN
Chemical Name:
Carbamic acid, N-(2-aminoethyl)-N-[2-[[(1,1-dimethylethoxy)carbonyl]amino]ethyl]-, 1,1-dimethylethyl ester
CAS Number:
120131-72-8
Molecular Formula:
C14H29N3O4
Molecular Weight:
303.3978
MDL Number:
MFCD06656457
IUPAC Name:
tert-butyl N-(2-aminoethyl)-N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]carbamate
InChI:
InChI=1S/C14H29N3O4/c1-13(2,3)20-11(18)16-8-10-17(9-7-15)12(19)21-14(4,5)6/h7-10,15H2,1-6H3,(H,16,18)
InChI Key:
HGNOQXYYSVIUNS-UHFFFAOYSA-N
SMILES:
NCCN(C(=O)OC(C)(C)C)CCNC(=O)OC(C)(C)C
Properties
Complexity:
345
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.216g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
303.403g/mol
Monoisotopic Mass:
303.216g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
93.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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