Metaraminol Impurity 13

CAT: 1299-RM-M201813-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-M201813-01Size:10 mg

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CAS Number

693772-30-4

Synonyms

2-amino-1- (3-hydroxyphenyl) propan-1-one

Molecular Formula

C9H11NO2

Molecular Weight

165.19

Target Alternative Name

Metaraminol

Product Name Synonym

2-amino-1- (3-hydroxyphenyl) propan-1-one

Chemical Information

2-Amino-1-(3-hydroxyphenyl)propan-1-one

CAS Number	693772-30-4
PubChem CID	22601035
IUPAC Name	2-amino-1-(3-hydroxyphenyl)propan-1-one
Molecular Formula	C9H11NO2
Molecular Weight	165.19
XLogP	0.9
Topological Polar Surface Area	63.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	12
Formal Charge	0
Complexity	170

SMILES

CC(C(=O)C1=CC(=CC=C1)O)N

InChI

InChI=1S/C9H11NO2/c1-6(10)9(12)7-3-2-4-8(11)5-7/h2-6,11H,10H2,1H3

InChIKey

OIHAQYRJHHWTGP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 693772-30-4

CID: 22601035

Formula: C9H11NO2

MW: 165.19

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	165.19
XLogP3	0.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	165.078978594
Monoisotopic Mass	165.078978594
Topological Polar Surface Area	63.3 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	170
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
RM-R242215-01	Roxatidine Impurity 13; Metaraminol Bitartrate Impurity 2
RG-H251801-01	Metaraminol Impurity A
RM-M201859-01	Metaraminol Impurity 59
RM-M201857-01	Metaraminol Impurity 57
RM-M201856-01	Metaraminol Impurity 56
RM-M201847-01	Metaraminol Impurity 47
RM-M201845-01	Metaraminol Impurity 45
RM-M201834-01	Metaraminol Impurity 34
RM-M201833-01	Metaraminol Impurity 33
RM-M201881-01	Metaraminol Impurity 81