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tromethamine hydrochloride

tromethamine hydrochloride

CAS: 1185-53-1

Formula: C4H12ClNO3

SMILES: Cl[H].NC(CO)(CO)CO

IUPAC: 2-amino-2-(hydroxymethyl)propane-1,3-diol hydrochloride

InChI: InChI=1S/C4H11NO3.ClH/c5-4(1-6,2-7)3-8;/h6-8H,1-3,5H2;1H

Composition: C (30.49%), H (7.68%), Cl (22.49%), N (8.89%), O (30.46%)

Molar Mass: 157.59

Atom Count: 21

Heavy Atom Count: 9

Properties
Properties
Common Names tromethamine hydrochloride
Aromatic Ring Count 0
Asymmetric Atom Count 0
Exact Mass 157.050571
Formal Charge 0
FSP3 1
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 4
InChIKey QKNYBSVHEMOAJP-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 28.36
Topological Polar Surface Area 86.71
Polarizability 11.57
Ring Count 0
Rotatable Bond Count 3

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