AG0037TJ

45588-79-2 | 4-Pyrimidinemethanamine

AG0037TJ

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CAS Number	45588-79-2
Catalog Number	AG0037TJ(AGN-PC-00K5C9)
Chemical Name	4-Pyrimidinemethanamine
IUPAC Name	pyrimidin-4-ylmethanamine
InChI	InChI=1S/C5H7N3/c6-3-5-1-2-7-4-8-5/h1-2,4H,3,6H2
InChI Key	AUHXBTKGPUVFCB-UHFFFAOYSA-N
MDL Number	MFCD06796202
Molecular Formula	C5H7N3
Molecular Weight	109.1292
SMILES	NCc1ccncn1
Synonyms	4-(Aminomethyl)pyrimidine, 45588-79-2, pyrimidin-4-ylmethanamine, 4-Pyrimidinemethanamine, 4-Aminomethylpyrimidine, 1-(pyrimidin-4-yl)methanamine, MFCD07375466, (Pyrimidin-4-ylmethyl)amine dihydrochloride, (pyrimidin-4-yl)methanamine, C-pyrimidin-4-yl-methylamine, SCHEMBL244702, AC1Q544H, CTK1D5616, KS-00000KZY, DTXSID40513326, AUHXBTKGPUVFCB-UHFFFAOYSA-N, ALBB-018328, ANW-51332, MFCD06796202, ZINC15635700, AKOS009130588, CS-W018555, MCULE-5753292428, RP18940, AJ-67760, AK-23966, BR-23966, DS-10664, EN001573, SY041990, 1-pyrimidin-4-ylmethanamine dihydrochloride, 4-PYRIMIDINEMETHYLAMINE HYDROCHLORIDE, AB0024992, DB-013303, TC-140077, 4CH-013901, FT-0647129, W6372, MFCD06796202 (97%), S-5947, 588A792, I03-0322, J-513631, Z1741977628, 4- -PYRIMIDINE, 1-pyrimidin-4-ylmethanamine, 4-Pyrimidinemethanamine (9CI), C5H7N3, A7178, 1138011-17-2,

Complexity	64.7
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	109.064g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	109.132g/mol
Monoisotopic Mass	109.064g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	51.8A^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-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number