2-Methyl-2-morpholinopropanenitrile

CAT: 0127-OR945205-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR945205-01Size:250 mg

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CAS Number

35666-81-0

MDL Number

MFCD04639674

Purity

95%

Smiles

CC(C)(C#N)N1CCOCC1

Chemical Information

4-(4-(4-(Trifluoromethyl)phenyl)thiazol-2-yl)benzenamine

CAS Number	35666-81-0
PubChem CID	11290160
IUPAC Name	4-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]aniline
Molecular Formula	C16H11F3N2S
Molecular Weight	320.3
XLogP	4.5
Topological Polar Surface Area	67.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	2
Heavy Atom Count	22
Formal Charge	0
Complexity	361

SMILES

C1=CC(=CC=C1C2=CSC(=N2)C3=CC=C(C=C3)N)C(F)(F)F

InChI

InChI=1S/C16H11F3N2S/c17-16(18,19)12-5-1-10(2-6-12)14-9-22-15(21-14)11-3-7-13(20)8-4-11/h1-9H,20H2

InChIKey

VURFNHAJTFHMFG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 35666-81-0

CID: 11290160

Formula: C16H11F3N2S

MW: 320.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	320.3
XLogP3	4.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	2
Exact Mass	320.05950402
Monoisotopic Mass	320.05950402
Topological Polar Surface Area	67.2 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	361
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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Catalog	Name
KBA66681-01	2-Methyl-2-morpholinopropanenitrile
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JXB01854-01	Methyl 2-methyl-2- ((2,2,2-trifluoroethyl) amino) propanoate
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