N, N-Dimethylcephalin octadecyl ester

CAT: 0926-FD172088-01Size: 0.05 gDry Ice: NoHazardous: No

1 / 1

CAT#:0926-FD172088-01Size:0.05 g

Selected

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

Quick Request Actions

CAS Number

1135371-33-3

Smiles

O=P (O) (OCCN (C) C) OCCCCCCCCCCCCCCCCCC

Molecular Formula

C22H48NO4P

Molecular Weight

421.6 g/mol

Controlled

Chemical Information

N,N-Dimethylcephalin octadecyl ester

CAS Number	1135371-33-3
PubChem CID	24802112
IUPAC Name	2-(dimethylamino)ethyl octadecyl hydrogen phosphate
Molecular Formula	C22H48NO4P
Molecular Weight	421.6
XLogP	5.6
Topological Polar Surface Area	59
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	22
Heavy Atom Count	28
Formal Charge	0
Complexity	366

SMILES

CCCCCCCCCCCCCCCCCCOP(=O)(O)OCCN(C)C

InChI

InChI=1S/C22H48NO4P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-26-28(24,25)27-22-20-23(2)3/h4-22H2,1-3H3,(H,24,25)

InChIKey

GKUCBSDDUSNXEX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1135371-33-3

CID: 24802112

Formula: C22H48NO4P

MW: 421.6

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	421.6
XLogP3	5.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	22
Exact Mass	421.33209601
Monoisotopic Mass	421.33209601
Topological Polar Surface Area	59 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	366
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
FM172286-01	N-Methylcephalin octadecyl ester
AMB89174-01	N-Octadecyl-N'-propylsulfamide
SAA36909-01	N-Octadecyl-p-toluenesulphonamide
FA108308-01	H-D-Ala-Gln-octadecyl ester·HCl
HBA36005	Octadecyl Methacrylate
FO11675-01	Octadecyl isocyanate
UCA57360-01	Octadecyl caffeate
TFA92592-01	Bis (octadecyl) hydroxylamine
XCA94388-01	Octadecyl p-coumarate
FO172262-01	1-O-Octadecyl-2-O-methyl-rac-glycero-3-phospho-N, N-dimethylethanolamine

Catalog	Name
HY-134564	Fluorescein octadecyl ester
162768	Benzeneacetic Acid Octadecyl Ester
TRC-C176870-2.5G	Carbonochloridic Acid Octadecyl Ester
OR1066278	Tetradecanoic acid, octadecyl ester
GW0490-20mg	Rhodamine B octadecyl ester perchlorate
GTR19268331-01	N-Octadecyl-pSar25
RM-D465001-01	4',5'-Dibromofluorescein Octadecyl Ester
288598-01	CRhodamine B octadecyl ester perchlorate
04673-10	N- (n-Octadecyl) acrylamide
C4735-10	N-Octadecyl-N'-propyl-sulfamide