acetic acid; ethyl 1-carbamimidoylpiperidine-4-carboxylate

acetic acid; ethyl 1-carbamimidoylpiperidine-4-carboxylate

CAS: 1208081-80-4

Formula: C11H21N3O4

SMILES: CC(O)=O.CCOC(=O)C1CCN(CC1)C(N)=N

IUPAC: acetic acid; ethyl 1-carbamimidoylpiperidine-4-carboxylate

InChI: InChI=1S/C9H17N3O2.C2H4O2/c1-2-14-8(13)7-3-5-12(6-4-7)9(10)11;1-2(3)4/h7H,2-6H2,1H3,(H3,10,11);1H3,(H,3,4)

Composition: C (50.95%), H (8.16%), N (16.21%), O (24.68%)

Molar Mass: 259.306

Atom Count: 39

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	259.153206168
Formal Charge	0
FSP3	0.73
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	FNECNVHKRNKUKD-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	63.83
Topological Polar Surface Area	79.41
Polarizability	20.38
Ring Count	1
Rotatable Bond Count	3

Suppliers

Key Organics Ltd

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<2 Days	1208081-80-4		$232.70$232.70$232.70