Phenylephrine

Catalog Number	ACM59427
CAS Number	59-42-7
Structure
Synonyms	Biomydrin
IUPAC Name	3-[(1R)-1-Hydroxy-2-(methylamino)ethyl]phenol
Molecular Weight	167.21
Molecular Formula	C9H13NO2
Canonical SMILES	CNCC(C1=CC(=CC=C1)O)O
InChI	InChI=1S/C9H13NO2/c1-10-6-9(12)7-3-2-4-8(11)5-7/h2-5,9-12H,6H2,1H3/t9-/m0/s1
InChI Key	SONNWYBIRXJNDC-VIFPVBQESA-N
Boiling Point	295.79 °C
Melting Point	171 °C
Flash Point	163.4 °C
Purity	98%
Density	1.1222 g/cm³
Storage	-20 °C Freezer, under inert atmosphere
Complexity	130
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Exact Mass	167.094628657
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	3
Isomeric SMILES	CNC[C@@H](C1=CC(=CC=C1)O)O
Monoisotopic Mass	167.094628657
PhysicalState	Solid
Rotatable Bond Count	3
Topological Polar Surface Area	52.5 Ų

※ Please kindly note that our products are for research use only.