F-Amidine

CAT: 0024-sc-496343BSize: 5 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-496343BSize:5 mg

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CAS Number

877617-45-3

Chemical Information

F-amidine

F-Amidine is a N-acylglycine.

CAS Number	877617-45-3
PubChem CID	11589584
IUPAC Name	N-[(2S)-1-amino-5-[(1-amino-2-fluoroethylidene)amino]-1-oxopentan-2-yl]benzamide
Molecular Formula	C14H19FN4O2
Molecular Weight	294.32
XLogP	0.3
Topological Polar Surface Area	111
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	8
Heavy Atom Count	21
Formal Charge	0
Complexity	381

SMILES

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

InChI

InChI=1S/C14H19FN4O2/c15-9-12(16)18-8-4-7-11(13(17)20)19-14(21)10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2,(H2,16,18)(H2,17,20)(H,19,21)/t11-/m0/s1

InChIKey

OLFDULIIJWCYCK-NSHDSACASA-N

Chemical Structure

2D Structure

CAS: 877617-45-3

CID: 11589584

Formula: C14H19FN4O2

MW: 294.32

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	294.32
XLogP3	0.3
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	8
Exact Mass	294.14920402
Monoisotopic Mass	294.14920402
Topological Polar Surface Area	111 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	381
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
sc-284731A	6- (Trifluoromethyl) pyridine-3-amidine hydrochloride
sc-284731	6- (Trifluoromethyl) pyridine-3-amidine hydrochloride
sc-205925A	ABD-F
sc-205925C	ABD-F
sc-205925B	ABD-F
sc-205925	ABD-F
sc-205925D	ABD-F
sc-488718	IN-F 7321
sc-488718A	IN-F 7321
sc-489827	DBD-F

Catalog	Name
HY-126560	F-Amidine
HY-126560A-01	F-Amidine (TFA)
T84479-01	F-Amidine TFA
B2803-500	F-Amidine (trifluoroacetate salt)
MBS132938	Cl-Amidine
HY-100574B	Cl-amidine (TFA)
HY-W297348-01	(Rac) -Cl-amidine