methyl (3S)-1,2-diazinane-3-carboxylate hydrochloride

methyl (3S)-1,2-diazinane-3-carboxylate hydrochloride

CAS: 380223-17-6

Formula: C6H13ClN2O2

SMILES: Cl.COC(=O)[C@@H]1CCCNN1

IUPAC: methyl (3S)-1,2-diazinane-3-carboxylate hydrochloride

InChI: InChI=1S/C6H12N2O2.ClH/c1-10-6(9)5-3-2-4-7-8-5;/h5,7-8H,2-4H2,1H3;1H/t5-;/m0./s1

Composition: C (39.90%), H (7.25%), Cl (19.63%), N (15.51%), O (17.71%)

Molar Mass: 180.63

Atom Count: 24

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	1
Exact Mass	180.0665554
Formal Charge	0
FSP3	0.83
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	SKHQENDPKXVMIR-JEDNCBNOSA-N
Lipinski's Rule of Five	1
Molar Refractivity	57.36
Topological Polar Surface Area	50.36
Polarizability	14.7
Ring Count	1
Rotatable Bond Count	2

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<5 Days	380223-17-6		$105.92-$488.01$105.92$153.84$488.01