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tert-butyl (3R)-3-methyl-1,4-diazepane-1-carboxylate

tert-butyl (3R)-3-methyl-1,4-diazepane-1-carboxylate

CAS: 223644-10-8

Formula: C11H22N2O2

SMILES: C[C@@H]1CN(CCCN1)C(=O)OC(C)(C)C

IUPAC: tert-butyl (3R)-3-methyl-1,4-diazepane-1-carboxylate

InChI: InChI=1S/C11H22N2O2/c1-9-8-13(7-5-6-12-9)10(14)15-11(2,3)4/h9,12H,5-8H2,1-4H3/t9-/m1/s1

Composition: C (61.65%), H (10.35%), N (13.07%), O (14.93%)

Molar Mass: 214.309

Atom Count: 37

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 1
Exact Mass 214.168127956
Formal Charge 0
FSP3 0.91
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey GDTFCUXOVITPHU-SECBINFHSA-N
Lipinski's Rule of Five 1
Molar Refractivity 59.73
Topological Polar Surface Area 41.57
Polarizability 23.69
Ring Count 1
Rotatable Bond Count 2

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