1,3-diaminopropan-2-one hydrate dihydrochloride

1,3-diaminopropan-2-one hydrate dihydrochloride

Formula: C3H12Cl2N2O2

SMILES: O.Cl.Cl.NCC(=O)CN

IUPAC: 1,3-diaminopropan-2-one hydrate dihydrochloride

InChI: InChI=1S/C3H8N2O.2ClH.H2O/c4-1-3(6)2-5;;;/h1-2,4-5H2;2*1H;1H2

Composition: C (20.13%), H (6.76%), Cl (39.60%), N (15.65%), O (17.87%)

Molar Mass: 179.04

Atom Count: 21

Heavy Atom Count: 9

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	178.027583
Formal Charge	0
FSP3	0.67
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	NWGWIZCBVTVWAW-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	22.91
Topological Polar Surface Area	69.11
Polarizability	9.39
Ring Count	0
Rotatable Bond Count	2

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Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C3H12Cl2N2O2		Quote Only