N-[(4-chlorophenyl)methyl]-N-methylguanidine; sulfuric acid

N-[(4-chlorophenyl)methyl]-N-methylguanidine; sulfuric acid

CAS: 1185162-03-1

Formula: C9H14ClN3O4S

SMILES: OS(O)(=O)=O.CN(CC1=CC=C(Cl)C=C1)C(N)=N

IUPAC: N-[(4-chlorophenyl)methyl]-N-methylguanidine; sulfuric acid

InChI: InChI=1S/C9H12ClN3.H2O4S/c1-13(9(11)12)6-7-2-4-8(10)5-3-7;1-5(2,3)4/h2-5H,6H2,1H3,(H3,11,12);(H2,1,2,3,4)

Composition: C (36.55%), H (4.77%), Cl (11.99%), N (14.21%), O (21.64%), S (10.84%)

Molar Mass: 295.74

Atom Count: 32

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	295.0393548
Formal Charge	0
FSP3	0.22
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	VNUPQJXVTFYLKY-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	65.35
Topological Polar Surface Area	53.11
Polarizability	20.71
Ring Count	1
Rotatable Bond Count	2

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<4 Days	1185162-03-1		$28.75-$815.35$28.75$93.15$189.75$465.75$708.40$815.35