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1214852-44-4 | 1H-1,4-Diazepine-1-acetic acid, 4-[(1,1-dimethylethoxy)carbonyl]hexahydro-α-methyl-, ethyl ester
CAS No: 1214852-44-4 Catalog No: AG00151F MDL No:
Product Description
Catalog Number:
AG00151F
Chemical Name:
1H-1,4-Diazepine-1-acetic acid, 4-[(1,1-dimethylethoxy)carbonyl]hexahydro-α-methyl-, ethyl ester
CAS Number:
1214852-44-4
Molecular Formula:
C15H28N2O4
Molecular Weight:
300.3938
IUPAC Name:
tert-butyl 4-(1-ethoxy-1-oxopropan-2-yl)-1,4-diazepane-1-carboxylate
InChI:
InChI=1S/C15H28N2O4/c1-6-20-13(18)12(2)16-8-7-9-17(11-10-16)14(19)21-15(3,4)5/h12H,6-11H2,1-5H3
InChI Key:
AIKMHBGFMRDTMI-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(N1CCCN(CC1)C(=O)OC(C)(C)C)C
Properties
Complexity:
365
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.205g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
300.399g/mol
Monoisotopic Mass:
300.205g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
59.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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