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864754-29-0 | Carbamic acid,[(1R)-1-[(hexahydro-1H-1,4-diazepin-1-yl)carbonyl]-2-methylpropyl]-,1,1-dimethylethyl ester (9CI)
CAS No: 864754-29-0 Catalog No: AG004QPL MDL No:
Product Description
Catalog Number:
AG004QPL
Chemical Name:
Carbamic acid,[(1R)-1-[(hexahydro-1H-1,4-diazepin-1-yl)carbonyl]-2-methylpropyl]-,1,1-dimethylethyl ester (9CI)
CAS Number:
864754-29-0
Molecular Formula:
C15H29N3O3
Molecular Weight:
299.4091
IUPAC Name:
tert-butyl N-[(2R)-1-(1,4-diazepan-1-yl)-3-methyl-1-oxobutan-2-yl]carbamate
InChI:
InChI=1S/C15H29N3O3/c1-11(2)12(17-14(20)21-15(3,4)5)13(19)18-9-6-7-16-8-10-18/h11-12,16H,6-10H2,1-5H3,(H,17,20)/t12-/m1/s1
InChI Key:
AZZQVSDOZJSXDW-GFCCVEGCSA-N
SMILES:
O=C(OC(C)(C)C)N[C@@H](C(=O)N1CCNCCC1)C(C)C
Properties
Complexity:
364
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
299.221g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
299.415g/mol
Monoisotopic Mass:
299.221g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
70.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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