N-Stearoyl-beta-alanine

CAT: 0024-sc-344957Size: 20 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-344957Size:20 mg

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CAS Number

51287-21-9

Chemical Information

N-Stearoyl-beta-alanine

CAS Number	51287-21-9
PubChem CID	19100388
IUPAC Name	3-(octadecanoylamino)propanoic acid
Molecular Formula	C21H41NO3
Molecular Weight	355.6
XLogP	7.4
Topological Polar Surface Area	66.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	19
Heavy Atom Count	25
Formal Charge	0
Complexity	318

SMILES

CCCCCCCCCCCCCCCCCC(=O)NCCC(=O)O

InChI

InChI=1S/C21H41NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)22-19-18-21(24)25/h2-19H2,1H3,(H,22,23)(H,24,25)

InChIKey

XIHNYLYAFWVNQA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 51287-21-9

CID: 19100388

Formula: C21H41NO3

MW: 355.6

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	355.6
XLogP3	7.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	19
Exact Mass	355.30864417
Monoisotopic Mass	355.30864417
Topological Polar Surface Area	66.4 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	318
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

Catalog	Name
sc-338324	N-Tetracosanoyl-beta-alanine
sc-338268	N-Docosanoyl-beta-alanine
sc-338297	N-Nonadecanoyl-beta-alanine
sc-338327	N-Tridecanoyl-beta-alanine
sc-338325	N-Tricosanoyl-beta-alanine
sc-338270	N-Elcosanoyl-beta-alanine
sc-338275	N-Heneicosanoyl-beta-alanine
sc-337496	A mixture of N- (14-trifluoroacetoxypentadecanoyl) -beta-alanine and N- (15-trifluoroacetoxypentadecanoyl) -beta-alanine
sc-337486	A mixture of N- (10-trifluoroacetoxyheptadecanoyl) -beta-alanine and N- (11-trifluoroacetoxyheptadecanoyl) -beta-alanine
sc-337488	A mixture of N- (10-trifluoroacetoxynonadecanoyl) -beta-alanine and N- (11-trifluoroacetoxynonadecanoyl) -beta-alanine

Catalog	Name
FD134652	N, N-Diethyl-beta-alanine
MBS5769615	N-Bromoacetyl-beta-alanine
OR350305-01	N-Cbz-beta-alanine
TRC-P279720-250MG	N-Pentyl-beta-alanine
TRC-B125155-50MG	N-Benzyl-Beta-alanine
TRC-C176180-1G	N-Carbobenzoxy-Beta-alanine
TRC-M276575-100MG	N-Methyl-beta-alanine
TRC-A168070-500MG	N-Acetyl-Beta-alanine
YLB24933-01	N- (Ethylsulfonyl) -beta-alanine
MBS6061356-01	N-Phthalyl-beta-alanine