AG00C98G

Name: 2-Nitro-2-(4-octylphenethyl)propane-1,3-diol
Brand: Angene Chemical
SKU: AG00C98G

374077-88-0 | 2-Nitro-2-(4-octylphenethyl)propane-1,3-diol

AG00C98G

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CAS Number	374077-88-0
Catalog Number	AG00C98G(AGN-PC-0WOZUS)
Chemical Name	2-Nitro-2-(4-octylphenethyl)propane-1,3-diol
IUPAC Name	2-nitro-2-[2-(4-octylphenyl)ethyl]propane-1,3-diol
InChI	InChI=1S/C19H31NO4/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)13-14-19(15-21,16-22)20(23)24/h9-12,21-22H,2-8,13-16H2,1H3
InChI Key	QVTZKTILXDEOOV-UHFFFAOYSA-N
MDL Number	MFCD26385800
Molecular Formula	C19H31NO4
Molecular Weight	337.4537
SMILES	OCC(CCC1=CC=C(CCCCCCCC)C=C1)([N+]([O-])=O)CO
Synonyms	2-nitro-2-(4-octylphenethyl)propane-1,3-diol, 2-Nitrodeamino Fingolimod, 374077-88-0, SCHEMBL903515, QVTZKTILXDEOOV-UHFFFAOYSA-N, ZINC114814269, 2-nitro-2-[2-(4-octylphenyl)ethyl]propane-1,3-diol,

Complexity	331
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	337.225g/mol
Formal Charge	0
Heavy Atom Count	24
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	337.46g/mol
Monoisotopic Mass	337.225g/mol
Rotatable Bond Count	12
Topological Polar Surface Area	86.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.9

CERTIFICATE OF ANALYSIS

Analysis Data:

Test:

Result:

Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

Date:

Reviewed by:Jessie

Date:

Angene International Limited