2-Amino-6-(chloromethyl)-4(3H)-pteridinone (>90%) - CAS 873397-19-4

Catalog:	BB074962
Product Name:	2-Amino-6-(chloromethyl)-4(3H)-pteridinone (>90%)
CAS:	873397-19-4
Synonyms:	2-Amino-6-(chloromethyl)-4-pteridinol

Technical Data

IUPAC Name:	2-amino-6-(chloromethyl)-3H-pteridin-4-one
Description:	2-Amino-6-(chloromethyl)-4(3H)-pteridinone is a reagent/intermediate used in the preparation of Folic Acid (F680300) and its derivatives.
Molecular Weight:	211.61
Molecular Formula:	C7H6ClN5O
Canonical SMILES:	C1=C(N=C2C(=O)NC(=NC2=N1)N)CCl
InChI:	InChI=1S/C7H6ClN5O/c8-1-3-2-10-5-4(11-3)6(14)13-7(9)12-5/h2H,1H2,(H3,9,10,12,13,14)
InChI Key:	ZLTBATTVDKFEDZ-UHFFFAOYSA-N
Melting Point:	>238°C (dec.)
Solubility:	Aqueous Acid (Slightly, Heated), DMSO (Slightly, Heated)
Appearance:	Pale Brown to Dark Brown Solid
Storage:	-20°C, Hygroscopic
References:	Qi, Y., et al. Faming Zhuanli Shenqing. CN 103755706 A 20140430. Apr 30, 2014.

Complexity:	281
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	211.0260875
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	211.0260875
Rotatable Bond Count:	1
Topological Polar Surface Area:	93.3Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.9