methyl 2-(1,4-diazepan-1-yl)acetate

methyl 2-(1,4-diazepan-1-yl)acetate

Formula: C8H16N2O2

SMILES: COC(=O)CN1CCCNCC1

IUPAC: methyl 2-(1,4-diazepan-1-yl)acetate

InChI: InChI=1S/C8H16N2O2/c1-12-8(11)7-10-5-2-3-9-4-6-10/h9H,2-7H2,1H3

Composition: C (55.79%), H (9.36%), N (16.27%), O (18.58%)

Molar Mass: 172.228

Atom Count: 28

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	172.121177763
Formal Charge	0
FSP3	0.87
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	ALRNDADTPZFPJX-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	46.46
Topological Polar Surface Area	41.57
Polarizability	18.56
Ring Count	1
Rotatable Bond Count	3

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Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C8H16N2O2		Quote Only