NSC 280449 - CAS 60204-53-7

Catalog:	BB058651
Product Name:	NSC 280449
CAS:	60204-53-7
Synonyms:	Tetrahydro-4a,6a-dimethyl-2H-1,4-dioxa-6b-azacyclopenta[cd]pentalene-2a(3H)-methanol

Technical Data

IUPAC Name:	(1,7-dimethyl-2,6-dioxa-10-azatricyclo[5.2.1.04,10]decan-4-yl)methanol
Description:	NSC 280449 is a derivative of Tromethamine (T892600); a compound that is widely used in biochemistry and molecular biology. In medicine, Tromethamine is used as an alternative to sodium bicarbonate in the treatment of metabolic acidosis.
Molecular Weight:	199.25
Molecular Formula:	C10H17NO3
Canonical SMILES:	CC12CCC3(N1C(CO2)(CO3)CO)C
InChI:	InChI=1S/C10H17NO3/c1-8-3-4-9(2)11(8)10(5-12,6-13-8)7-14-9/h12H,3-7H2,1-2H3
InChI Key:	WOKUYHJTKOEMBG-UHFFFAOYSA-N
References:	Gomori, G., et al. Methods Enzymoloy, 1, 138 (1955); Kallet, RH., et al. Amer. J. Resp. Crit. Care Med., 161 (4), 119 (2000).

Complexity:	261
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	199.1208434
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	199.1208434
Rotatable Bond Count:	1
Topological Polar Surface Area:	41.9Å²
Undefined Atom Stereocenter Count:	2
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.1