2-(azepan-1-yl)-5-methylaniline dihydrochloride

2-(azepan-1-yl)-5-methylaniline dihydrochloride

CAS: 1609396-69-1

Formula: C13H22Cl2N2

SMILES: Cl.Cl.CC1=CC(N)=C(C=C1)N1CCCCCC1

IUPAC: 2-(azepan-1-yl)-5-methylaniline dihydrochloride

InChI: InChI=1S/C13H20N2.2ClH/c1-11-6-7-13(12(14)10-11)15-8-4-2-3-5-9-15;;/h6-7,10H,2-5,8-9,14H2,1H3;2*1H

Composition: C (56.32%), H (8.00%), Cl (25.57%), N (10.10%)

Molar Mass: 277.23

Atom Count: 39

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	276.1160041
Formal Charge	0
FSP3	0.54
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	FPHFPZZUKMAUBJ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	66.97
Topological Polar Surface Area	29.26
Polarizability	24.72
Ring Count	2
Rotatable Bond Count	1

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