Metaraminol Impurity 4

CAT: 1299-RM-M201804-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-M201804-01Size:10 mg

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CAS Number

21480-43-3

Synonyms

3- ((1R,2R) -2-amino-1-hydroxypropyl) phenol

Molecular Formula

C9H13NO2

Molecular Weight

167.21

Target Alternative Name

Metaraminol

Product Name Synonym

3- ((1R,2R) -2-amino-1-hydroxypropyl) phenol

Chemical Information

(-)-threo-Metaraminol

CAS Number	21480-43-3
PubChem CID	6321237
IUPAC Name	3-[(1R,2R)-2-amino-1-hydroxypropyl]phenol
Molecular Formula	C9H13NO2
Molecular Weight	167.20
XLogP	-0.4
Topological Polar Surface Area	66.5
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	12
Formal Charge	0
Complexity	140

SMILES

C[C@H]([C@@H](C1=CC(=CC=C1)O)O)N

InChI

InChI=1S/C9H13NO2/c1-6(10)9(12)7-3-2-4-8(11)5-7/h2-6,9,11-12H,10H2,1H3/t6-,9+/m1/s1

InChIKey

WXFIGDLSSYIKKV-MUWHJKNJSA-N

Chemical Structure

2D Structure

CAS: 21480-43-3

CID: 6321237

Formula: C9H13NO2

MW: 167.20

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	167.20
XLogP3	-0.4
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	167.094628657
Monoisotopic Mass	167.094628657
Topological Polar Surface Area	66.5 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	140
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes