(1R,3S)-3-aminocyclohexane-1-carboxylic acid hydrochloride

(1R,3S)-3-aminocyclohexane-1-carboxylic acid hydrochloride

CAS: 118785-96-9

Formula: C7H14ClNO2

SMILES: Cl.N[C@H]1CCC[C@H](C1)C(O)=O

IUPAC: (1R,3S)-3-aminocyclohexane-1-carboxylic acid hydrochloride

InChI: InChI=1S/C7H13NO2.ClH/c8-6-3-1-2-5(4-6)7(9)10;/h5-6H,1-4,8H2,(H,9,10);1H/t5-,6+;/m1./s1

Composition: C (46.80%), H (7.86%), Cl (19.73%), N (7.80%), O (17.81%)

Molar Mass: 179.64

Atom Count: 25

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	2
Exact Mass	179.0713064
Formal Charge	0
FSP3	0.86
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	BOUHXQPJYJANEO-IBTYICNHSA-N
Lipinski's Rule of Five	1
Molar Refractivity	37.17
Topological Polar Surface Area	63.32
Polarizability	14.95
Ring Count	1
Rotatable Bond Count	1

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