AG000HB8

1159822-73-7 | (6-chloropyrimidin-4-yl)-(2,2-dimethoxyethyl)amine

AG000HB8

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CAS Number	1159822-73-7
Catalog Number	AG000HB8(AGN-PC-08Y014)
Chemical Name	(6-chloropyrimidin-4-yl)-(2,2-dimethoxyethyl)amine
IUPAC Name	6-chloro-N-(2,2-dimethoxyethyl)pyrimidin-4-amine
InChI	InChI=1S/C8H12ClN3O2/c1-13-8(14-2)4-10-7-3-6(9)11-5-12-7/h3,5,8H,4H2,1-2H3,(H,10,11,12)
InChI Key	RITZCZHXWUGXCP-UHFFFAOYSA-N
MDL Number	MFCD12068366
Molecular Formula	C8H12ClN3O2
Molecular Weight	217.6528
SMILES	ClC1C=C(N=CN=1)NCC(OC)OC
Synonyms	1159822-73-7, 6-chloro-N-(2,2-dimethoxyethyl)pyrimidin-4-amine, (6-Chloropyrimidin-4-yl)-(2,2-dimethoxyethyl)amine, (6-chloro-pyrimidin-4-yl)-(2,2-dimethoxy-ethyl)-amine, DTXSID50679462, 8882AH, MFCD12068366, ZINC44713499, AKOS024260814, AS-31400, BBV-40285974, AJ-110092, AX8289547, A-1943, 4-Pyrimidinamine, 6-chloro-N-(2,2-dimethoxyethyl)-, F1967-4536, C8H12ClN3O2,

Complexity	158
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	217.062g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	217.653g/mol
Monoisotopic Mass	217.062g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	56.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

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