Metaraminol Impurity 9

CAT: 1299-RM-M201809-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-M201809-01Size:10 mg

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CAS Number

20727-99-5

Synonyms

4- ((1R,2R) -2-amino-1-hydroxypropyl) benzene-1,2-diol

Molecular Formula

C9H13NO3

Molecular Weight

183.2

Target Alternative Name

Metaraminol

Product Name Synonym

4- ((1R,2R) -2-amino-1-hydroxypropyl) benzene-1,2-diol

Chemical Information

4-((1R,2R)-2-amino-1-hydroxypropyl)benzene-1,2-diol

CAS Number	20727-99-5
PubChem CID	672404
IUPAC Name	4-[(1R,2R)-2-amino-1-hydroxypropyl]benzene-1,2-diol
Molecular Formula	C9H13NO3
Molecular Weight	183.20
XLogP	-0.8
Topological Polar Surface Area	86.7
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	13
Formal Charge	0
Complexity	165

SMILES

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

InChI

InChI=1S/C9H13NO3/c1-5(10)9(13)6-2-3-7(11)8(12)4-6/h2-5,9,11-13H,10H2,1H3/t5-,9+/m1/s1

InChIKey

GEFQWZLICWMTKF-ANLVUFKYSA-N

Chemical Structure

2D Structure

CAS: 20727-99-5

CID: 672404

Formula: C9H13NO3

MW: 183.20

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	183.20
XLogP3	-0.8
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	183.08954328
Monoisotopic Mass	183.08954328
Topological Polar Surface Area	86.7 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	165
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