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benzyl N-[(3S)-azepan-3-yl]carbamate hydrochloride

benzyl N-[(3S)-azepan-3-yl]carbamate hydrochloride

CAS: 1384268-59-0

Formula: C14H21ClN2O2

SMILES: Cl.O=C(N[C@H]1CCCCNC1)OCC1=CC=CC=C1

IUPAC: benzyl N-[(3S)-azepan-3-yl]carbamate hydrochloride

InChI: InChI=1S/C14H20N2O2.ClH/c17-14(16-13-8-4-5-9-15-10-13)18-11-12-6-2-1-3-7-12;/h1-3,6-7,13,15H,4-5,8-11H2,(H,16,17);1H/t13-;/m0./s1

Composition: C (59.05%), H (7.43%), Cl (12.45%), N (9.84%), O (11.24%)

Molar Mass: 284.78

Atom Count: 40

Heavy Atom Count: 19

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 284.1291556
Formal Charge 0
FSP3 0.5
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 2
InChIKey KIYNSUYGQIRGIM-ZOWNYOTGSA-N
Lipinski's Rule of Five 1
Molar Refractivity 70.14
Topological Polar Surface Area 50.36
Polarizability 27.75
Ring Count 2
Rotatable Bond Count 4

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