(3S)-3-amino-1-chloro-5-methylhexan-2-one hydrochloride

(3S)-3-amino-1-chloro-5-methylhexan-2-one hydrochloride

CAS: 54518-92-2

Formula: C7H15Cl2NO

SMILES: Cl.CC(C)C[C@H](N)C(=O)CCl

IUPAC: (3S)-3-amino-1-chloro-5-methylhexan-2-one hydrochloride

InChI: InChI=1S/C7H14ClNO.ClH/c1-5(2)3-6(9)7(10)4-8;/h5-6H,3-4,9H2,1-2H3;1H/t6-;/m0./s1

Composition: C (42.02%), H (7.56%), Cl (35.43%), N (7.00%), O (8.00%)

Molar Mass: 200.1

Atom Count: 26

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	1
Exact Mass	199.0530695
Formal Charge	0
FSP3	0.86
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	DRZZRBOLWKRHPF-RGMNGODLSA-N
Lipinski's Rule of Five	1
Molar Refractivity	42.48
Topological Polar Surface Area	43.09
Polarizability	17.06
Ring Count	0
Rotatable Bond Count	4

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