4-Amino-5-pyrimidinemethanol - CAS 7730-23-6

Catalog:	BB074498
Product Name:	4-Amino-5-pyrimidinemethanol
CAS:	7730-23-6
Synonyms:	(4-aminopyrimidin-5-yl)methanol; 4-Amino-5-hydroxymethylpyrimidine; 5-Pyrimidinemethanol, 4-amino-; 4-AMINO-5-PYRIMIDINEMETHANOL; 4-Ahmp; 5-Pyrimidinemethanol, 4-amino- (9CI); 5-pyrimidinemethanol,4-amino-

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	(4-aminopyrimidin-5-yl)methanol
Molecular Weight:	125.13
Molecular Formula:	C5H7N3O
Canonical SMILES:	C1=C(C(=NC=N1)N)CO
InChI:	InChI=1S/C5H7N3O/c6-5-4(2-9)1-7-3-8-5/h1,3,9H,2H2,(H2,6,7,8)
InChI Key:	QDTXMVZKZLJQRY-UHFFFAOYSA-N
Solubility:	DCM/Methanol ; DMF, DMSO
Appearance:	Brown Crystals

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	88.3
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	125.058911855
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	125.058911855
Rotatable Bond Count:	1
Topological Polar Surface Area:	72Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.5