Neostigmine EP Impurity B

CAT: 1506-KL-02-01750Size: 100 mgDry Ice: NoHazardous: No

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CAT#:1506-KL-02-01750Size:100 mg

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CAS Number

99-07-0

Specifications

Impurity

Chemical Information

3-(Dimethylamino)phenol

3-dimethylaminophenol appears as needles (from ligroin) or a dark gray solid. (NTP, 1992)

CAS Number	99-07-0
PubChem CID	7421
IUPAC Name	3-(dimethylamino)phenol
Molecular Formula	C8H11NO
Molecular Weight	137.18
XLogP	1.6
Topological Polar Surface Area	23.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	10
Formal Charge	0
Complexity	103

SMILES

CN(C)C1=CC(=CC=C1)O

InChI

InChI=1S/C8H11NO/c1-9(2)7-4-3-5-8(10)6-7/h3-6,10H,1-2H3

InChIKey

MESJRHHDBDCQTH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 99-07-0

CID: 7421

Formula: C8H11NO

MW: 137.18

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	137.18
XLogP3	1.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	137.084063974
Monoisotopic Mass	137.084063974
Topological Polar Surface Area	23.5 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	103
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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