Ammuxetine Impurity 2

CAT: 1596-AR-A06396-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-A06396-01Size:10 Units

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

65653-31-8

Molecular Formula

C7H11NOS

Molecular Weight

157.23

API Name

Ammuxetine

Chemical Information

3-Amino-1-(thiophen-2-yl)propan-1-ol

CAS Number	65653-31-8
PubChem CID	12084156
IUPAC Name	3-amino-1-thiophen-2-ylpropan-1-ol
Molecular Formula	C7H11NOS
Molecular Weight	157.24
XLogP	0.2
Topological Polar Surface Area	74.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	10
Formal Charge	0
Complexity	99

SMILES

C1=CSC(=C1)C(CCN)O

InChI

InChI=1S/C7H11NOS/c8-4-3-6(9)7-2-1-5-10-7/h1-2,5-6,9H,3-4,8H2

InChIKey

OFOQLYYHEOJCSK-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 65653-31-8

CID: 12084156

Formula: C7H11NOS

MW: 157.24

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	157.24
XLogP3	0.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	157.05613515
Monoisotopic Mass	157.05613515
Topological Polar Surface Area	74.5 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	99.6
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

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